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17722-52-0

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Basic Information
CAS No.: 17722-52-0
Name: 4-[(4-CHLOROPHENYL)AMINO]-4-OXOBUTANOIC ACID
Article Data: 17
Molecular Structure:
Molecular Structure of 17722-52-0 (4-[(4-CHLOROPHENYL)AMINO]-4-OXOBUTANOIC ACID)
Formula: C10H11ClN2O2
Molecular Weight: 227.647
Synonyms: OTAVA-BB BB0110420277;4-[(4-CHLOROPHENYL)AMINO]-4-OXOBUTANOIC ACID;IFLAB-BB F0358-0044;ASISCHEM D13214;AURORA 2782;BUTTPARK 41\07-63
Density: 1.346 g/cm3
Boiling Point: 530.6 °C at 760 mmHg
Flash Point: 274.7 °C
PSA: 66.40000
LogP: 2.21630
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Specification

The N-(4-Chlorophenyl)-succinamide, with the CAS registry number 17722-52-0, is also known as Butanediamide, N1-(4-chlorophenyl)-. This chemical's molecular formula is C10H11ClN2O2 and molecular weight is 226.05. What's more, its IUPAC name is N'-(4-Chlorophenyl)butanediamide.

Physical properties about N-(4-Chlorophenyl)-succinamide are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.88; (6)ACD/BCF (pH 7.4): 2.88; (7)ACD/KOC (pH 5.5): 74.22; (8)ACD/KOC (pH 7.4): 74.22; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 168.2 cm3; (16)Polarizability: 23.09×10-24 cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 274.7 °C; (20)Enthalpy of Vaporization: 80.59 kJ/mol; (21)Boiling Point: 530.6 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(NC(=O)CCC(=O)N)cc1
(2) InChI: InChI=1/C10H11ClN2O2/c11-7-1-3-8(4-2-7)13-10(15)6-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
(3) InChIKey: LBGCDXJDYHAXEF-UHFFFAOYAU