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2- (2-bromophenyl) -2-methylpropanoic acid

CAT: 0926-NEA94800-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NEA94800-01Size:50 mg
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CAS Number
113948-00-8
MDL Number
MFCD11036927
Smiles
CC (C) (C1=CC=CC=C1Br) C (=O) O
Molecular Formula
C10H11BrO2
Molecular Weight
243.1 g/mol
Controlled
No

Chemical Information

2-(2-Bromophenyl)-2-methylpropanoic acid
CAS Number113948-00-8
PubChem CID14112224
IUPAC Name2-(2-bromophenyl)-2-methylpropanoic acid
Molecular FormulaC10H11BrO2
Molecular Weight243.10
XLogP3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
CC(C)(C1=CC=CC=C1Br)C(=O)O
InChI
InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKey
FLSGJYHPNFXLSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromophenyl)-2-methylpropanoic acid
CAS: 113948-00-8
CID: 14112224
Formula: C10H11BrO2
MW: 243.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.10
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass241.99424
Monoisotopic Mass241.99424
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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