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37777-71-2

Basic Information
CAS No.: 37777-71-2
Name: 2-(4-CHLORO-2-NITROPHENYL)ACETIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 37777-71-2 (2-(4-CHLORO-2-NITROPHENYL)ACETIC ACID)
Formula: C8H6ClNO4
Molecular Weight: 215.593
Synonyms: 4-Chloro-2-nitrobenzeneaceticacid;4-Chloro-2-nitrophenylacetic acid;NSC 115143;
Density: 1.532 g/cm3
Boiling Point: 361.2 °C at 760 mmHg
Flash Point: 172.2 °C
PSA: 83.12000
LogP: 2.39850
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Specification

This chemical is called 4-Chloro-2-nitrophenylacetic acid, and it can also be named as Benzeneacetic acid, 4-chloro-2-nitro. With the molecular formula of C8H6ClNO4, its molecular weight is 215.59. The CAS registry number of this chemical is 37777-71-2.

Other characteristics of the 4-Chloro-2-nitrophenylacetic acid can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.39; (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: 72.12 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 48.8 cm3; (14)Molar Volume: 140.6 cm3; (15)Polarizability: 19.34×10-24cm3; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.532 g/cm3; (18)Flash Point: 172.2 °C; (19)Enthalpy of Vaporization: 64.05 kJ/mol; (20)Boiling Point: 361.2 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cc(c(cc1)CC(=O)O)[N+]([O-])=O
2.InChI: InChI=1/C8H6ClNO4/c9-6-2-1-5(3-8(11)12)7(4-6)10(13)14/h1-2,4H,3H2,(H,11,12)
3.InChIKey: FLZUSUKBKOZJLG-UHFFFAOYAW