2-Bromopropionyl bromide

CAT: 0024-sc-237953ASize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237953ASize:500 g

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CAS Number

563-76-8

Chemical Information

Propanoyl bromide, 2-bromo-

CAS Number	563-76-8
PubChem CID	79047
IUPAC Name	2-bromopropanoyl bromide
Molecular Formula	C3H4Br2O
Molecular Weight	215.87
XLogP	2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

CC(C(=O)Br)Br

InChI

InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3

InChIKey

ILLHORFDXDLILE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 563-76-8

CID: 79047

Formula: C3H4Br2O

MW: 215.87

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.87
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	215.86084
Monoisotopic Mass	213.86289
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-230087	2-Bromopropionyl chloride
sc-252078	4- (2-Bromopropionyl) phenoxyacetic acid
sc-225987	3-Bromopropionyl chloride
sc-225315	2-Chlorophenethyl bromide
sc-230427	2-Iodobenzyl bromide
sc-225516	2-Nitrophenethyl bromide
sc-254250	2-Fluorophenethyl bromide
sc-230339	2-Fluorobenzyl bromide
sc-237937	2-Bromobenzyl bromide
sc-274348	2-Bromophenacyl bromide

Catalog	Name
OR8821	2-Bromopropionyl bromide
B24290-01	2-Bromopropionyl bromide 97%
RAA79390	2-Methylphenethyl bromide
TRC-D525540-2.5G	2-Dodecylisoquinolinium Bromide
TYD-00723-01	2-Bromoisobutyryl bromide
HY-A0280	Roslin 2 (bromide)
416290-01	2-Bromoacetyl Bromide
020143	2-Propyltriphenylphosphonium Bromide
TRC-B679975-25G	2-Bromobenzyl Bromide
TRC-H288503-250MG	2-Heptynyl Bromide