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  • 2-(4-Bromophenyl)-2-methylpropionic acid
Name:2-(4-Bromophenyl)-2-methylpropionic acid
CAS No:32454-35-6

PRODUCT DESCRIPTION

【Name】
2-(4-Bromophenyl)-2-methylpropionic acid
【Iupac name】
2-(4-bromophenyl)-2-methylpropanoic acid
【CAS Registry number】
32454-35-6
【Synonyms】
benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl-
2-Methyl-2-(4-bromophenyl) propionic acid
【Molecular Formula】
C10H11BrO2 (Products with the same molecular formula)
【Molecular Weight】
243.10
【Inchi】
InChI=1/C10H11BrO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)
【Canonical SMILES】
CC(C)(C1=CC=C(C=C1)Br)C(=O)O
【MOL File】
32454-35-6.mol

Chemical and Physical Properties

【Appearance】
White Solid
【Density】
1.456g/cm3
【Melting Point】
122-124°C
【Boiling Point】
334.239 °C at 760 mmHg
【Refractive Index】
1.559
【Flash Point】
155.942 °C
【Computed Properties】
Molecular Weight:243.09714 [g/mol]
Molecular Formula:C10H11BrO2
XLogP3-AA:3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:241.994242
MonoIsotopic Mass:241.994242
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Formal Charge:0
Complexity:193
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
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

Safety and Handling

【Specification】

  2-(4-Bromophenyl)-2-methylpropionic acid , with CAS number of 32454-35-6, can be called 2-(4-Bromophenyl)-2-methylpropionic acid ; Bromophenylmethylpropionicacid ; 2-Methyl-2-(4-bromophenyl) propionic acid ; benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl- . It is a white solid.

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