2- (3-Bromophenoxy) -2-phenylacetic acid

CAT: 0926-NMB28507-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NMB28507-01Size:250 mg

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CAS Number

938285-07-5

MDL Number

MFCD09718887

Smiles

C1=CC=C (C=C1) C (C (=O) O) OC2=CC (=CC=C2) Br

Molecular Formula

C14H11BrO3

Molecular Weight

307.14 g/mol

Controlled

Chemical Information

2-(3-Bromophenoxy)-2-phenylacetic acid

CAS Number	938285-07-5
PubChem CID	22684335
IUPAC Name	2-(3-bromophenoxy)-2-phenylacetic acid
Molecular Formula	C14H11BrO3
Molecular Weight	307.14
XLogP	3.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	276

SMILES

C1=CC=C(C=C1)C(C(=O)O)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H11BrO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17)

InChIKey

JOQPWSHPJXCJDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 938285-07-5

CID: 22684335

Formula: C14H11BrO3

MW: 307.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.14
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	305.98916
Monoisotopic Mass	305.98916
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	276
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
NMB34483-01	2- (2-Bromophenoxy) -2-phenylacetic acid
NMB14743-01	2- (4-Bromophenoxy) -2-phenylacetic acid
QGA53835-01	3- (2-bromophenoxy) propanoic acid
WQB24585-01	2- (3-Bromophenoxy) benzoic acid
NMB32120-01	2- (2-Bromophenoxy) -3-methylbutanoic acid
HVB88066-01	2- (3-Chlorobenzenesulfonamido) -2-phenylacetic acid
KCA05052-01	2- (3-Methylbutanamido) -2-phenylacetic acid
RQB82298-01	2- (3-Methylbutoxy) -2-phenylacetic acid
RQB52075-01	2- (3-Fluorophenoxy) -2-phenylacetic acid
UTB67299-01	2- (3-Formylphenoxy) -2-phenylacetic acid

Catalog	Name
sc-339629A	2- (3-bromophenoxy) -2-phenylacetic acid
sc-339437	2- (2-bromophenoxy) -2-phenylacetic acid
sc-339813	2- (4-bromophenoxy) -2-phenylacetic acid
OR1058364-01	3- (2-Bromophenoxy) propanoic acid
sc-339633	2- (3-bromophenoxy) nicotinic acid
sc-282555	2- (3-bromophenoxy) propanoic acid
sc-339632	2- (3-bromophenoxy) benzoic acid
OR90344-01	2- (3-Bromophenoxy) acetic acid
sc-298723	3- (2-Fluorobenzyloxy) phenylacetic acid
sc-339438A	2- (2-bromophenoxy) -3-methylbutanoic acid