2-Bromoethyl acrylate

CAT: 0127-OR90119-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR90119-01Size:1 g

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CAS Number

4823-47-6

MDL Number

MFCD00013541

Purity

98%, stabilized with MEHQ

Smiles

C=CC(OCCBr)=O

Notes

Stabilised with MEHQ

Chemical Information

2-Bromoethyl acrylate

2-bromoethyl acrylate is a colorless liquid. (NTP, 1992)

CAS Number	4823-47-6
PubChem CID	20963
IUPAC Name	2-bromoethyl prop-2-enoate
Molecular Formula	C5H7BrO2
Molecular Weight	179.01
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	90

SMILES

C=CC(=O)OCCBr

InChI

InChI=1S/C5H7BrO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2

InChIKey

CDZAAIHWZYWBSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4823-47-6

CID: 20963

Formula: C5H7BrO2

MW: 179.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.01
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	177.96294
Monoisotopic Mass	177.96294
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.4
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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