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Basic Information
CAS No.: 37777-90-5
Name: 2-(4,5-Dichloro-2-nitrophenyl)acetic acid
Molecular Structure:
Molecular Structure of 37777-90-5 (2-(4,5-Dichloro-2-nitrophenyl)acetic acid)
Formula: C8H5Cl2NO4
Molecular Weight: 250.04
Synonyms: Dichloronitrophenylacetic acid;
Density: 1.638 g/cm3
Melting Point: 127-130°
Boiling Point: 388 °C at 760 mmHg
Flash Point: 188.5 °C
PSA: 83.12000
LogP: 3.05190
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Specification

The 2-(4,5-Dichloro-2-nitrophenyl)acetic acid, with the CAS registry number of 37777-90-5, is also known as Dichloronitrophenylacetic acid. This chemical's molecular formula is C8H5Cl2NO4 and molecular weight is 250.04. What's more, its IUPAC name is 2-(4,5-Dichloro-2-nitrophenyl)acetic acid.

Physical properties about the 2-(4,5-Dichloro-2-nitrophenyl)acetic acid are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.03; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 53.7 cm3; (14)Molar Volume: 152.6 cm3; (15)Surface Tension: 64.7 dyne/cm; (16)Density: 1.638 g/cm3; (17)Flash Point: 188.5 °C; (18)Enthalpy of Vaporization: 67.2 kJ/mol; (19)Boiling Point: 388 °C at 760 mmHg; (20)Vapour Pressure: 1.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Clc1cc([N+]([O-])=O)c(cc1Cl)CC(=O)O
(2) InChI:InChI=1/C8H5Cl2NO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13)
(3) InChIKey:NIBVBDGBJQMRNF-UHFFFAOYAD