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71455-51-1

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Basic Information
CAS No.: 71455-51-1
Name: 4-(4-CHLORO-BENZOYLAMINO)-BUTYRIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 71455-51-1 (4-(4-CHLORO-BENZOYLAMINO)-BUTYRIC ACID)
Formula: C11H12ClNO3
Molecular Weight: 241.674
Synonyms: 4-[(4-Chlorobenzoyl)amino]butanoic acid;4-(4-Chloro-benzoylamino)-butyric acid;4-[(4-Chlorobenzoyl)amino]butanoate;
Density: 1.3 g/cm3
Boiling Point: 482 °C at 760 mmHg
Flash Point: 245.3 °C
PSA: 66.40000
LogP: 2.32550
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Specification

The Butanoic acid,4-[(4-chlorobenzoyl)amino]-, with the CAS registry number of 71455-51-1, is also known as 4-(4-Chloro-benzoylamino)-butyric acid. The molecular formula of this chemical is C11H12ClNO3 and its molecular weight is 241.6709. What's more, its IUPAC name is 4-[(4-Chlorobenzoyl)amino]butanoate.

Physical properties about Butanoic acid,4-[(4-chlorobenzoyl)amino]- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.12; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 60.23 cm3; (15)Molar Volume: 185.8 cm3; (16)Polarizability: 23.87×10-24 cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 245.3 °C; (20)Enthalpy of Vaporization: 78.67 kJ/mol; (21)Boiling Point: 482 °C at 760 mmHg; (22)Vapour Pressure: 4.2E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)NCCCC(=O)O
(2) InChI: InChI=1/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)
(3) InChIKey: OWNIULYDSMYROG-UHFFFAOYAJ