Methyl 2-bromopropionate

CAT: 0063-16544642-25gSize: 25 gDry Ice: NoHazardous: No

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CAT#:0063-16544642-25gSize:25 g

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CAS Number

5445-17-0

Molecular Formula

CH3CHBrCO2CH3

Molecular Weight

167

Formulation

CH3CHBrCO2CH3

Chemical Information

Methyl 2-bromopropionate

CAS Number	5445-17-0
PubChem CID	95576
IUPAC Name	methyl 2-bromopropanoate
Molecular Formula	C4H7BrO2
Molecular Weight	167.00
XLogP	1.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	72

SMILES

CC(C(=O)OC)Br

InChI

InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3

InChIKey

ACEONLNNWKIPTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5445-17-0

CID: 95576

Formula: C4H7BrO2

MW: 167.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.00
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.96294
Monoisotopic Mass	165.96294
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
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
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