3- (3-Bromo-phenoxy) -propionic acid

CAT: 0024-sc-280321Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-280321Size:1 g

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CAS Number

18386-03-3

Chemical Information

3-(3-Bromophenoxy)propanoic acid

CAS Number	18386-03-3
PubChem CID	3581034
IUPAC Name	3-(3-bromophenoxy)propanoic acid
Molecular Formula	C9H9BrO3
Molecular Weight	245.07
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

C1=CC(=CC(=C1)Br)OCCC(=O)O

InChI

InChI=1S/C9H9BrO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

XXAKGQROEOIMKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18386-03-3

CID: 3581034

Formula: C9H9BrO3

MW: 245.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.07
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	243.97351
Monoisotopic Mass	243.97351
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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
sc-311781	3- (3-Fluoro-phenoxy) -propionic acid
sc-275640	3- (2-Fluoro-phenoxy) -propionic acid
sc-309384	3- (2-Carbamoyl-phenoxy) -propionic acid
sc-344418	3- (4-Ethoxy-phenoxy) -propionic acid
sc-344418A	3- (4-Ethoxy-phenoxy) -propionic acid
sc-344137A	3- (2-Ethoxy-phenoxy) -propionic acid
sc-305130	2- (3-Fluoro-phenoxy) -propionic acid
sc-344137	3- (2-Ethoxy-phenoxy) -propionic acid
sc-275758	3- (4-Methoxy-phenoxy) -propionic acid
sc-305179	2- (3-Methoxy-phenoxy) -propionic acid

Catalog	Name
187205-01	3-Phenoxy Propionic Acid 99.0%
GTR19259112-01	2- (3-FLUORO-PHENOXY) -PROPIONIC ACID
DAA28479-01	3- (4-Chloro-phenoxy) -propionic acid
HAA30952-01	2- (3-Methoxy-phenoxy) -propionic acid
DEA20434-01	3- (2-Carbamoyl-phenoxy) -propionic acid
PC8232	3-[4- (Trifluoromethyl) phenoxy]propionic acid
OR470107	3-[4- (Methylthio) phenoxy]propionic acid
GTR19259114-01	2-FLUORO-PHENOXY) -PROPIONIC ACID
SAA08871	2- (2-Fluoro-phenoxy) -propionic acid
ZDA76132	2- (4-Ethoxy-phenoxy) -propionic acid