2-Bromoacetylchloride

CAT: 0127-OR54475-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR54475-01Size:5 g

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CAS Number

22118-09-8

MDL Number

MFCD00000724

Purity

98%

Smiles

ClC(=O)CBr

Chemical Information

Bromoacetyl chloride

CAS Number	22118-09-8
PubChem CID	89602
IUPAC Name	2-bromoacetyl chloride
Molecular Formula	C2H2BrClO
Molecular Weight	157.39
XLogP	1.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	44

SMILES

C(C(=O)Cl)Br

InChI

InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2

InChIKey

SYZRZLUNWVNNNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22118-09-8

CID: 89602

Formula: C2H2BrClO

MW: 157.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.39
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	155.89775
Monoisotopic Mass	155.89775
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	44.9
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

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