3- (2-Bromophenyl) -2,2-dimethylpropanoic acid

CAT: 0926-ZFA08024-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZFA08024-01Size:50 mg

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CAS Number

149080-24-0

MDL Number

MFCD16855521

Smiles

CC (C) (CC1=CC=CC=C1Br) C (=O) O

Molecular Formula

C11H13BrO2

Molecular Weight

257.12 g/mol

Controlled

Chemical Information

3-(2-Bromophenyl)-2,2-dimethylpropanoic acid

CAS Number	149080-24-0
PubChem CID	10038066
IUPAC Name	3-(2-bromophenyl)-2,2-dimethylpropanoic acid
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	3.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

CC(C)(CC1=CC=CC=C1Br)C(=O)O

InChI

InChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3,(H,13,14)

InChIKey

PXLOONGLASJSGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149080-24-0

CID: 10038066

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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
LHA49830-01	3- (4-Bromophenyl) -2,2-dimethylpropanoic acid
LBA88114-01	3- (Benzyloxy) -2,2-dimethylpropanoic acid
SHA32700-01	3-Cyano-2,2-dimethylpropanoic acid
PCA24177	3-Fluoro-2,2-dimethylpropanoic acid
GFA46976-01	3-Cyclopropyl-2,2-dimethylpropanoic acid
FH142384-01	3-Hydroxy-2,2-dimethylpropanoic acid
FDA25347-01	3-acetamido-2,2-dimethylpropanoic acid
FAA32467-01	3-Methanesulfonyl-2,2-dimethylpropanoic acid
PHC90254-01	3-Cyclobutyl-2,2-dimethylpropanoic acid
XQB15450-01	3,3-Difluoro-2,2-dimethylpropanoic acid

Catalog	Name
OR1034108-01	3- (2-Bromophenyl) -2,2-dimethylpropanoic acid
OR1038079-01	3- (3-Bromophenyl) -2,2-dimethylpropanoic acid
OR1036421-01	3- (4-Bromophenyl) -2,2-dimethylpropanoic acid
OR1070523-01	3-Methoxy-2,2-dimethylpropanoic acid
OR79754-01	3-Amino-2,2-dimethylpropanoic acid
OR95407-01	3-Hydroxy-2,2-dimethylpropanoic acid
PC100546-01	3- (2-Fluorophenyl) -2,2-dimethylpropanoic acid
PC201274-01	3-Fluoro-2,2-dimethylpropanoic acid
PC111653-01	3,3-Difluoro-2,2-dimethylpropanoic acid
TRC-H876945-750MG	3-(4-Hydroxyphenyl)-2,2-dimethylpropanoic Acid