2- (4-bromophenoxy) propanoic acid

CAT: 0024-sc-282623Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-282623Size:100 mg

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CAS Number

32019-08-2

Chemical Information

2-(4-Bromophenoxy)propanoic acid

CAS Number	32019-08-2
PubChem CID	3507593
IUPAC Name	2-(4-bromophenoxy)propanoic acid
Molecular Formula	C9H9BrO3
Molecular Weight	245.07
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

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

InChI

InChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)

InChIKey

IWXNSVLXICBLHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32019-08-2

CID: 3507593

Formula: C9H9BrO3

MW: 245.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.07
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	243.97351
Monoisotopic Mass	243.97351
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
sc-282461	2- (2-bromophenoxy) propanoic acid
sc-344396	3- (4-bromophenoxy) propanoic acid
sc-344396A	3- (4-bromophenoxy) propanoic acid
sc-344101A	3- (2-bromophenoxy) propanoic acid
sc-282555	2- (3-bromophenoxy) propanoic acid
sc-344101	3- (2-bromophenoxy) propanoic acid
sc-347617	4- (2-bromophenoxy) butanoic acid
sc-347617A	4- (2-bromophenoxy) butanoic acid
sc-305456	2- (4-Bromophenoxy) butanoic acid
sc-339817A	2- (4-bromophenoxy) nicotinic acid

Catalog	Name
TDA67018-01	3- (4-bromophenoxy) propanoic acid
OR452059-01	2- (4-Bromophenoxy) propanoic acid
OR1058364-01	3- (2-Bromophenoxy) propanoic acid
OR76333-01	2- (2-Bromophenoxy) propanoic acid
OR1059360-01	3- (3-Bromophenoxy) propanoic acid
ICC96300-01	2- (4-Cyanobenzenesulfonamido) propanoic acid
APA69965-01	3- (4-Aminophenoxy) propanoic acid
ABA14102-01	2- (4-Propylphenoxy) propanoic acid
AAC93390-01	2- (4-Methanesulfonylphenyl) propanoic acid
EQA25467-01	3- (4-Ethoxyphenoxy) propanoic acid