Ethyl 3-Bromopropionate

CAT: 1596-AR-P32863-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32863-01Size:10 Units

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CAS Number

539-74-2

Molecular Formula

C5H9BrO2

Molecular Weight

181.03

API Name

Propanoic acid

Chemical Information

Ethyl 3-bromopropionate

CAS Number	539-74-2
PubChem CID	68320
IUPAC Name	ethyl 3-bromopropanoate
Molecular Formula	C5H9BrO2
Molecular Weight	181.03
XLogP	1.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CCOC(=O)CCBr

InChI

InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3

InChIKey

FQTIYMRSUOADDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 539-74-2

CID: 68320

Formula: C5H9BrO2

MW: 181.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.03
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	179.97859
Monoisotopic Mass	179.97859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
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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