Trifluoromethanesulfonic acid--manganese (2/1)

CAS Number: 55120-76-8

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OS(C(F)(F)F)(=O)=O.OS(C(F)(F)F)(=O)=O.[Mn]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

Mn.CHO3F3S.CHO3F3S

Molecular Weight

150.076

Drug-likeness

-22.084

CAS

55120-76-8

InChI key

PNLVFLLUCISQES-UHFFFAOYSA-N

SMILES

OS(C(F)(F)F)(=O)=O.OS(C(F)(F)F)(=O)=O.[Mn]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	55120-76-8
Molecule Name	Trifluoromethanesulfonic acid--manganese (2/1)
Molecular Formula	Mn.CHO3F3S.CHO3F3S
SMILES	OS(C(F)(F)F)(=O)=O.OS(C(F)(F)F)(=O)=O.[Mn]
InChI	InChI=1S/2CHF3O3S.Mn/c22-1(3,4)8(5,6)7;/h2(H,5,6,7);
InChI Key	PNLVFLLUCISQES-UHFFFAOYSA-N
CanonicalSyTyLFy	709f3b158dbb7a38
TotalMolweight	355.09
Molecular Weight	150.076
MonoisotopicMass	149.959849
CLogP	0.2439
CLogS	-0.835
H Acceptors	3
H Donors	1
TotalSurfaceArea	77.89
Relative PSA	0.53511
PolarSurfaceArea	62.75
Drug-likeness	-22.084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecula Flexibility	0.7224
Molecular Complexity	0.73241
Fragments	3
Non HAtoms	8
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Sp3Atoms	3
Symmetricatoms	3
AcidicOxygens	1

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
10000-51-8	none	none	none	C14H15NO3	245.277	0.10503	ChemrytIQ
100-59-4	none	none	none	Cl.C6H5Mg	101.411	-2.3575	ChemrytIQ
100004-93-1	none	high	none	C16H11NO2	249.268	-1.5746	ChemrytIQ
10-00-4	none	none	none	C28H34O8	498.57	-4.8409	ChemrytIQ
1000339-13-8	low	none	low	C7H10NO4ClS	239.678	-21.883	ChemrytIQ
100-73-2	high	none	none	C6H8O2	112.128	-6.3422	ChemrytIQ
100-29-8	none	none	none	C8H9NO3	167.163	-8.928	ChemrytIQ
100007-40-7	none	none	none	C31H42N4O7	582.695	-0.42167	ChemrytIQ
1000018-40-5	low	high	none	C11H16N2O2S	240.326	1.4856	ChemrytIQ
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797	ChemrytIQ
100-99-2	none	none	low	C12H27Al	198.328	-22.009	ChemrytIQ
1000017-94-6	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
100-77-6	none	none	none	C6H4N2Cl.Cl	139.565	-4.1248	ChemrytIQ
1000-46-0	none	none	none	C7H18Ge	174.83	-4.6976	ChemrytIQ
1000-58-4	high	high	high	C4H8Cl4Si	226.006	-54.611	ChemrytIQ
100005-44-5	high	none	low	C7H5O2ClS	188.634	-11.771	ChemrytIQ
100-20-9	high	none	low	C8H4O2Cl2	203.024	-10.706	ChemrytIQ
100-97-0	high	high	high	C6H12N4	140.189	1.5849	ChemrytIQ
100022-13-7	none	none	none	HCl.C20H21NO4	339.39	2.3133	ChemrytIQ
1000-68-6	none	none	none	C3H9NO3S2	171.24	-3.0843	ChemrytIQ
100032-79-9	none	high	none	C6H6N3O2Br.HCl	232.037	-11.653	ChemrytIQ
100020-95-9	high	none	low	C12H17OCl	212.719	-11.962	ChemrytIQ
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1000-84-6	none	none	high	C4H9NO	87.1215	-6.3779	ChemrytIQ
100031-76-3	none	none	none	C30H44NO8P	577.652	-46.719	ChemrytIQ
10002-97-8	none	none	none	C18H30O2	278.434	0.24997	ChemrytIQ
1000018-39-2	high	high	low	C13H20N2O2S	268.38	1.9315	ChemrytIQ
100-96-9	high	none	none	C7H10N2O	138.169	-1.7412	ChemrytIQ
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100-52-7	high	high	high	C7H6O	106.124	-4.225	ChemrytIQ
100-85-6	none	none	none	HO.C10H16N	150.244	-2.6575	ChemrytIQ
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1000-30-2	none	none	high	C9H16O	140.225	-7.4662	ChemrytIQ
100-71-0	none	none	none	C7H9N	107.155	-2.2725	ChemrytIQ
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1000-63-1	none	none	high	C8H18O	130.23	-19.78	ChemrytIQ
100008-89-7	none	none	none	C11H10N4O3	246.225	-1.8465	ChemrytIQ
100009-01-6	none	none	none	C15H13N3O3	283.286	-2.3895	ChemrytIQ
1000018-56-3	none	none	none	C7H4N3O2Br	242.032	-0.39052	ChemrytIQ
100020-83-5	none	none	low	C7H11O3B	153.972	-20.814	ChemrytIQ
1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
10001-08-8	none	none	high	C11H22N2O	198.309	-3.1037	ChemrytIQ
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100-38-9	none	none	high	C6H15NS	133.258	0.17671	ChemrytIQ
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100004-81-7	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
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