Ethyl 2-bromopropionate

CAT: 0024-sc-239887Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239887Size:25 g

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CAS Number

535-11-5

Chemical Information

Ethyl 2-bromopropionate

CAS Number	535-11-5
PubChem CID	79040
IUPAC Name	ethyl 2-bromopropanoate
Molecular Formula	C5H9BrO2
Molecular Weight	181.03
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(C)Br

InChI

InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

InChIKey

ARFLASKVLJTEJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 535-11-5

CID: 79040

Formula: C5H9BrO2

MW: 181.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.03
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.97859
Monoisotopic Mass	179.97859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.5
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
43428714-01	Ethyl 2-bromopropionate
E05820-01	Ethyl 2-bromopropionate 95%
HY-I0705S	Ethyl 2-bromopropionate-d3
abx186435-01	Ethyl 3-bromopropionate
TRC-E900819-25MG	Ethyl 3-Bromopropionate-13C
MBS6035255-01	Ethyl-3-bromopropionate-d4
E05830-01	Ethyl 3-bromopropionate 99%
HY-W007449S-01	Ethyl 3-Bromopropionate-2,2,3,3-d4
E900471	Ethyl (±)-2-Bromopropionate-3,3,3-d3
SCA43123-01	Ethyl 2-ethyl-2-sulfanylbutanoate