CAS No.60091-87-4,2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60091-87-4
Name:	2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID
Article Data:	9

Formula:	C₁₃H₉ClN₂O₄
Molecular Weight:	292.678
Synonyms:	Anthranilicacid, N-(4-chloro-2-nitrophenyl)- (7CI);2-[(4-Chloro-2-nitrophenyl)amino]benzoic acid;
Density:	1.525 g/cm³
Melting Point:	246-247 °C(Solv: ethanol (64-17-5))
Boiling Point:	445.9 °C at 760 mmHg
Flash Point:	223.5 °C
PSA:	95.15000
LogP:	4.28620

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Specification

The Benzoic acid, 2-[(4-chloro-2-nitrophenyl)amino]-, with the CAS registry number of 60091-87-4, is also known as Anthranilicacid, N-(4-chloro-2-nitrophenyl)- (7CI) and 2-(4-Chloro-2-nitriphenyl)aminobenzoic acid. This chemical's molecular formula is C₁₃H₉ClN₂O₄ and molecular weight is 292.67. What's more, its systematic name is called 2-[(4-Chloro-2-nitrophenyl)amino]benzoic acid.

Physical properties about Benzoic acid, 2-[(4-chloro-2-nitrophenyl)amino]- are: (1)ACD/LogP: 5.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 240.98; (6)ACD/BCF (pH 7.4): 16.16; (7)ACD/KOC (pH 5.5): 512.05; (8)ACD/KOC (pH 7.4): 34.34; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.15 Å²; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 73.99 cm³; (15)Molar Volume: 191.7 cm³; (16)Surface Tension: 69.6 dyne/cm; (17)Density: 1.525 g/cm³; (18)Flash Point: 223.5 °C; (19)Enthalpy of Vaporization: 74.19 kJ/mol; (20)Boiling Point: 445.9 °C at 760 mmHg; (21)Vapour Pressure: 9.86E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(c(Nc1ccccc1C(O)=O)cc2)N(=O)=O
(2) InChI: InChI=1/C13H9ClN2O4/c14-8-5-6-11(12(7-8)16(19)20)15-10-4-2-1-3-9(10)13(17)18/h1-7,15H,(H,17,18)
(3) InChIKey: GBBIOGPNJFKJOD-UHFFFAOYAV