Manganese--tributyl(dichloro)-lambda~5~-phosphane (1/1)

CAS Number: 82307-31-1
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CCCCP(CCCC)(CCCC)(Cl)Cl.[Mn]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mn.C12H27Cl2P
Molecular Weight
273.226
Drug-likeness
-22.958
CAS
82307-31-1
InChI key
XAVDYYNLZNURLB-UHFFFAOYSA-N
SMILES
CCCCP(CCCC)(CCCC)(Cl)Cl.[Mn]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 82307-31-1
Molecule Name Manganese--tributyl(dichloro)-lambda~5~-phosphane (1/1)
Molecular Formula Mn.C12H27Cl2P
SMILES CCCCP(CCCC)(CCCC)(Cl)Cl.[Mn]
InChI InChI=1S/C12H27Cl2P.Mn/c1-4-7-10-15(13,14,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;
InChI Key XAVDYYNLZNURLB-UHFFFAOYSA-N
CanonicalSyTyLFy 2d8a56edef845607
TotalMolweight 328.164
Molecular Weight 273.226
MonoisotopicMass 272.122741
CLogP 4.6359
CLogS -5.412
TotalSurfaceArea 225.21
Drug-likeness -22.958
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.6
Molecula Flexibility 0.37663
Molecular Complexity 0.42063
Fragments 2
Non HAtoms 15
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 9
Sp3Atoms 13
Symmetricatoms 9

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