(1,2-Phenylene)bis(dichloroborane)

CAS Number: 107134-81-6
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ClB(c1c(B(Cl)Cl)cccc1)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H4B2Cl4
Molecular Weight
239.532
Drug-likeness
-8.5875
CAS
107134-81-6
InChI key
LPNVMMAZYMHBGH-UHFFFAOYSA-N
SMILES
ClB(c1c(B(Cl)Cl)cccc1)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 107134-81-6
Molecule Name (1,2-Phenylene)bis(dichloroborane)
Molecular Formula C6H4B2Cl4
SMILES ClB(c1c(B(Cl)Cl)cccc1)Cl
InChI InChI=1S/C6H4B2Cl4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
InChI Key LPNVMMAZYMHBGH-UHFFFAOYSA-N
CanonicalSyTyLFy 4b204f2bc3b1e905
TotalMolweight 239.532
Molecular Weight 239.532
MonoisotopicMass 237.925318
CLogP 1.1064
CLogS -4.058
TotalSurfaceArea 164.14
Drug-likeness -8.5875
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.5
Molecula Flexibility 0.41468
Molecular Complexity 0.64169
Fragments 1
Non HAtoms 12
NonCHAtoms 6
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 7

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