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Basic Information
CAS No.: 712-33-4
Name: N-{3-chloro-4-nitrophenyl}acetamide
Article Data: 21
Cas Database
Molecular Structure:
Molecular Structure of 712-33-4 (N-{3-chloro-4-nitrophenyl}acetamide)
Formula: C8H7ClN2O3
Molecular Weight: 214.608
Synonyms: Acetanilide, 3-chloro-4-nitro-;N-(3-Chloro-4-nitro-phenyl)acetamide;
Density: 1.466 g/cm3
Melting Point: 145 °C(Solv: benzene (71-43-2))
Boiling Point: 428.3 °C at 760 mmHg
Flash Point: 212.8 °C
PSA: 74.92000
LogP: 2.80280
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Specification

The Acetamide, N- (3-chloro-4-nitrophenyl)-, with the CAS registry number 712-33-4, is also known as Acetanilide, 3-chloro-4-nitro-. This chemical's molecular formula is C8H7ClN2O3 and molecular weight is 214.61. What's more, its systematic name is N-(3-Chloro-4-nitrophenyl)acetamide.

Physical properties of Acetamide, N- (3-chloro-4-nitrophenyl)- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.49; (6)ACD/BCF (pH 7.4): 26.49; (7)ACD/KOC (pH 5.5): 363.27; (8)ACD/KOC (pH 7.4): 363.26; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 51.96 cm3; (15)Molar Volume: 146.3 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 212.8 °C; (20)Enthalpy of Vaporization: 68.34 kJ/mol; (21)Boiling Point: 428.3 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(cc1Cl)NC(=O)C
(2)InChI: InChI=1S/C8H7ClN2O3/c1-5(12)10-6-2-3-8(11(13)14)7(9)4-6/h2-4H,1H3,(H,10,12)
(3)InChIKey: KUAYZLXOOIEGDN-UHFFFAOYSA-N