Systematic Name: (3-Chloro-2-nitrophenyl)acetic acid
SMILES: O=[N+]([O-])c1c(cccc1Cl)CC(O)=O
InChI: InChI=1/C8H6ClNO4/c9-6-3-1-2-5(4-7(11)12)8(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKey: BLJTYQBHLXPJPG-UHFFFAOYAU
Empirical Formula: C8H6ClNO4
Molecular Weight: 215.5905
Nominal Mass: 215
Average Mass: 215.5905
Monoisotopic Mass: 214.998535
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.61
Molar Refractivity: 48.8 cm3
Molar Volume: 140.6 cm3
Surface Tension: 63.4 dyne/cm
Density: 1.532 g/cm3
Flash Point: 180.1 °C
Enthalpy of Vaporization: 65.57 kJ/mol
Boiling Point: 374.2 °C at 760 mmHg
Vapour Pressure of 3-Chloro-2-nitrophenylacetic acid (CAS NO.23066-21-9): 2.9E-06 mmHg at 25 °C
3-Chloro-2-nitrophenylacetic acid (CAS NO.23066-21-9), its Synonyms are Benzeneacetic acid, 3-chloro-2-nitro- ; Aceticacid, (3-chloro-2-nitrophenyl)- (8CI) .
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