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20608-82-6

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Basic Information
CAS No.: 20608-82-6
Name: 2-(2-BROMO-PHENYL)-SUCCINIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 20608-82-6 (2-(2-BROMO-PHENYL)-SUCCINIC ACID)
Formula: C10H9BrO4
Molecular Weight: 273.083
Synonyms: Succinicacid, (o-bromophenyl)- (8CI);
Density: 1.691 g/cm3
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 174.6 °C
PSA: 74.60000
LogP: 2.09200
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Specification

The Butanedioic acid,2-(2-bromophenyl)-, with the CAS registry number 20608-82-6, is also known as 2-(2-Bromophenyl)succinic acid. This chemical's molecular formula is C10H9BrO4 and molecular weight is 273.08. What's more, its systematic name is 2-(2-Bromophenyl)butanedioic acid.

Physical properties about Butanedioic acid,2-(2-bromophenyl)- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 74.6 Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 55.88 cm3; (9)Molar Volume: 161.4 cm3; (10)Polarizability: 22.15×10-24 cm3; (11)Surface Tension: 63.7 dyne/cm; (12)Density: 1.691 g/cm3; (13)Flash Point: 174.6 °C; (14)Enthalpy of Vaporization: 64.5 kJ/mol; (15)Boiling Point: 365.1 °C at 760 mmHg; (16)Vapour Pressure: 5.68E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(c(c1)C(CC(=O)O)C(=O)O)Br
(2) InChI: InChI=1/C10H9BrO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)
(3) InChIKey: ZYVUHPNGZXZEFZ-UHFFFAOYAV