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129592-99-0

Basic Information
CAS No.: 129592-99-0
Name: 2-AMINO-2-(4-BROMOPHENYL)ACETIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 129592-99-0 (2-AMINO-2-(4-BROMOPHENYL)ACETIC ACID)
Formula: C8H8BrNO2
Molecular Weight: 230.061
Synonyms: AMINO(4-BROMOPHENYL)ACETIC ACID;2-AMINO-2-(4-BROMOPHENYL)ACETIC ACID
Density: 1.673 g/cm3
Melting Point: 273-274°C
Boiling Point: 363.2 °C at 760 mmHg
Flash Point: 173.5 °C
Safety: 22-24/25
PSA: 63.32000
LogP: 2.23380
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Specification

The 2-Amino-2-(4-Bromophenyl)Acetic, with CAS registry number 129592-99-0, has the systematic name of amino(4-bromophenyl)acetic acid. Besides this, it is also called Benzeneacetic acid, α-amino-4-bromo-. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C8H8BrNO2.

Physical properties of 2-Amino-2-(4-Bromophenyl)Acetic: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 48.59 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 19.26×10-24cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 173.5 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 6.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8BrNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: APLQICUORRMFHY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8BrNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(5)Std. InChIKey: APLQICUORRMFHY-UHFFFAOYSA-N