2- (3-Bromophenyl) propanoic acid

CAT: 0926-FB141893Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FB141893Size:5 g

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CAS Number

53086-52-5

MDL Number

MFCD09743806

Smiles

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

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Controlled

Chemical Information

2-(3-Bromophenyl)propanoic acid

CAS Number	53086-52-5
PubChem CID	12797954
IUPAC Name	2-(3-bromophenyl)propanoic acid
Molecular Formula	C9H9BrO2
Molecular Weight	229.07
XLogP	2.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C9H9BrO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)

InChIKey

QLHMQZFTSIHQIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53086-52-5

CID: 12797954

Formula: C9H9BrO2

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	227.97859
Monoisotopic Mass	227.97859
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
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
FCA22323-01	3- (2-Bromophenyl) -2-[ (2-bromophenyl) methyl]propanoic acid
BMB20007-01	3-[ (2-Bromophenyl) sulfanyl]propanoic acid
DGA18413-01	2- (2-Bromophenyl) propanoic Acid
DCA08653-01	2- (4-bromophenyl) propanoic acid
SQB09062-01	3-[ (3-Bromophenyl) methanesulfonyl]propanoic acid
DFA83401	2-Amino-3- (2-bromophenyl) propanoic acid hydrochloride
TEB44059-01	3- (3-Bromophenyl) -3- (carbamoylamino) propanoic acid
IHA55936-01	2-[ (4-Bromophenyl) formamido]propanoic acid
TAA73977-01	2-[ (4-Bromophenyl) sulfanyl]propanoic acid
RQB83787-01	2-[ (4-Bromophenyl) methanesulfonyl]propanoic acid

Catalog	Name
422602-01	3- (3-Bromophenyl) propanoic acid
422796-01	3- (4-Bromophenyl) propanoic acid
OR3083-01	3- (2-Bromophenyl) propanoic acid
413397-01	2- (3-Bromophenyl) propanoic Acid
OR1059464-01	3- ((3-Bromophenyl) amino) propanoic acid
AK HC T307-01	3-amino-3- (3-bromophenyl) propanoic acid
HY-W442377-01	(S) -2- (3-Bromophenyl) propanoic acid
sc-345770	3-[ (4-bromophenyl) sulfonyl]propanoic acid
sc-344715	3-[ (2-bromophenyl) thio]propanoic acid
OR1037064	(R) -2- (3-Bromophenyl) propanoic acid