2-Propenoic acid, 2-methyl-, 4-bromophenyl ester

CAT: 0127-OR1101196-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101196-01Size:250 mg

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CAS Number

36889-09-5

Purity

95%

Smiles

CC (=C) C (=O) OC1=CC=C (C=C1) Br

Chemical Information

4-Bromophenyl 2-methylprop-2-enoate

CAS Number	36889-09-5
PubChem CID	22140092
IUPAC Name	(4-bromophenyl) 2-methylprop-2-enoate
Molecular Formula	C10H9BrO2
Molecular Weight	241.08
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H9BrO2/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3

InChIKey

VMLATLXXUPZKMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36889-09-5

CID: 22140092

Formula: C10H9BrO2

MW: 241.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.08
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	239.97859
Monoisotopic Mass	239.97859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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

Catalog	Name
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OR955550-01	3- (2-Pyridinyl) -2-propenoic acid methyl ester
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OR1042713-01	3- (1H-imidazol-4-yl) -2-propenoic acid methyl ester
OR1024913-01	2-Propenoic Acid, 1-Ethylcyclohexyl Ester
OR1042827-01	2-Propenoic acid 1-ethylcyclopentyl ester

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