3- (2-bromophenoxy) propanoic acid

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CAT#:0024-sc-344101Size:1 g

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CAS Number

165538-35-2

Chemical Information

3-(2-Bromophenoxy)propanoic acid

CAS Number	165538-35-2
PubChem CID	16775454
IUPAC Name	3-(2-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	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

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

InChI

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

InChIKey

YRCVMOJOHSPJGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165538-35-2

CID: 16775454

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	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-282555	2- (3-bromophenoxy) propanoic acid
sc-282461	2- (2-bromophenoxy) propanoic acid
sc-344396	3- (4-bromophenoxy) propanoic acid
sc-282623	2- (4-bromophenoxy) propanoic acid
sc-344396A	3- (4-bromophenoxy) propanoic acid
sc-339633	2- (3-bromophenoxy) nicotinic acid
sc-339632	2- (3-bromophenoxy) benzoic acid
sc-339632A	2- (3-bromophenoxy) benzoic acid
sc-339633A	2- (3-bromophenoxy) nicotinic acid
sc-339438A	2- (2-bromophenoxy) -3-methylbutanoic acid

Catalog	Name
OR76333-01	2- (2-Bromophenoxy) propanoic acid
OR1058364-01	3- (2-Bromophenoxy) propanoic acid
OR452059-01	2- (4-Bromophenoxy) propanoic acid
TDA67018-01	3- (4-bromophenoxy) propanoic acid
OR1059360-01	3- (3-Bromophenoxy) propanoic acid
JHB28027-01	2- (Methylsulfonyl) propanoic acid
SAA43194-01	2- (Phenylsulfanyl) propanoic acid
GAA18285-01	2- (Benzylthio) propanoic acid
XFC00808-01	2- (Cyclopropylformamido) propanoic acid
OR1021104	2- (Phenylcarbonothioylthio) propanoic acid