4-Bromophenylacetic acid

CAT: 0063-30743745-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-30743745-100gSize:100 g

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CAS Number

1878-68-8

Molecular Formula

BrC6H4CH2CO2H

Molecular Weight

215.04

Formulation

BrC6H4CH2CO2H

Chemical Information

Benzeneacetic acid, 4-bromo-

4-Bromophenyl acetate is a monocarboxylic acid.

CAS Number	1878-68-8
PubChem CID	74654
IUPAC Name	2-(4-bromophenyl)acetic acid
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	139

SMILES

C1=CC(=CC=C1CC(=O)O)Br

InChI

InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

QOWSWEBLNVACCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1878-68-8

CID: 74654

Formula: C8H7BrO2

MW: 215.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.04
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.96294
Monoisotopic Mass	213.96294
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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
17945491-25g	Alpha-Bromophenylacetic acid
17945491-100g	Alpha-Bromophenylacetic acid
17945491-01	Alpha-Bromophenylacetic acid
49383024-01	4-Mercaptobenzoic acid
34629290	4-Iodobenzoic acid
14775799-01	4-Chloronicotinic acid
89992050-100g	4-Hydroxycinnamic Acid.
86815064-100g	4-Hydroxycinnamic acid
65447636-100mg	4-Aminobenzoic acid
39793386-100g	4-Hydroxyphenylacetic acid

Catalog	Name
MBS6051929-01	4-Bromophenylacetic Acid
OR471558-01	4- (Benzyloxy) -3-bromophenylacetic acid
sc-254182	2-Bromophenylacetic acid
B23530-01	A-Bromophenylacetic acid 95%
B23550-01	M-Bromophenylacetic acid
OR350067-01	Alpha-Bromophenylacetic Acid
GTR19246025-01	3-Bromophenylacetic acid
FB55007-01	4-Bromophenylacetic acid ethyl ester