Dichlorophenylborane

CAT: 0127-OR1022036-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1022036-03Size:5 g

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CAS Number

873-51-8

MDL Number

MFCD00013612

Purity

97%

Smiles

ClB(Cl)c1ccccc1

Chemical Information

Borane, dichlorophenyl-

CAS Number	873-51-8
PubChem CID	136678
IUPAC Name	dichloro(phenyl)borane
Molecular Formula	C6H5BCl2
Molecular Weight	158.82
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	79

SMILES

B(C1=CC=CC=C1)(Cl)Cl

InChI

InChI=1S/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

NCQDQONETMHUMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 873-51-8

CID: 136678

Formula: C6H5BCl2

MW: 158.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.82
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	157.9861357
Monoisotopic Mass	157.9861357
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	79.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239705	Dichlorophenylborane