Dichloro(diethyl)phenyl-lambda~5~-phosphane--manganese (1/1)

CAS Number: 88325-47-7
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CCP(CC)(c1ccccc1)(Cl)Cl.[Mn]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mn.C10H15Cl2P
Molecular Weight
237.109
Drug-likeness
-18.57
CAS
88325-47-7
InChI key
WORLZCASQWTGTB-UHFFFAOYSA-N
SMILES
CCP(CC)(c1ccccc1)(Cl)Cl.[Mn]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 88325-47-7
Molecule Name Dichloro(diethyl)phenyl-lambda~5~-phosphane--manganese (1/1)
Molecular Formula Mn.C10H15Cl2P
SMILES CCP(CC)(c1ccccc1)(Cl)Cl.[Mn]
InChI InChI=1S/C10H15Cl2P.Mn/c1-3-13(11,12,4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3;
InChI Key WORLZCASQWTGTB-UHFFFAOYSA-N
CanonicalSyTyLFy 625357ce745b1529
TotalMolweight 292.047
Molecular Weight 237.109
MonoisotopicMass 236.028841
CLogP 2.9351
CLogS -4.635
TotalSurfaceArea 176.39
Drug-likeness -18.57
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.53846
Molecula Flexibility 0.043355
Molecular Complexity 0.6307
Fragments 2
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 5

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