CAS No.4295-55-0,CLOFENAMIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4295-55-0
Name:	CLOFENAMIC ACID
Article Data:	7

Formula:	C₁₃H₉Cl₂NO₂
Molecular Weight:	282.126
Synonyms:	Anthranilicacid, N-(2,3-dichlorophenyl)- (6CI,7CI,8CI);2-(2,3-Dichloroanilino)benzoicacid;Clofenamic acid;N-(2,3-Dichlorophenyl)anthranilic acid;
EINECS:	224-301-3
Density:	1.47 g/cm³
Melting Point:	256-257 °C
Boiling Point:	407.1 °C at 760 mmHg
Flash Point:	200 °C
Appearance:	yellowish crystalline powder
PSA:	49.33000
LogP:	4.50820

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Specification

The Benzoic acid,2-[(2,3-dichlorophenyl)amino]-, with the CAS registry number 4295-55-0, is also known as Acido clofenamico. Its EINECS registry number is 224-301-3. This chemical's molecular formula is C₁₃H₉Cl₂NO₂ and molecular weight is 281.001034. Its IUPAC name is called 2-(2,3-dichloroanilino)benzoic acid.

Physical properties of Benzoic acid,2-[(2,3-dichlorophenyl)amino]-: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 324.36; (6)ACD/BCF (pH 7.4): 21.17; (7)ACD/KOC (pH 5.5): 639.52; (8)ACD/KOC (pH 7.4): 41.74; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 72.34 cm³; (14)Molar Volume: 191.9 cm³; (15)Surface Tension: 60.1 dyne/cm; (16)Density: 1.47 g/cm³; (17)Flash Point: 200 °C; (18)Enthalpy of Vaporization: 69.48 kJ/mol; (19)Boiling Point: 407.1 °C at 760 mmHg; (20)Vapour Pressure: 2.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=C(C(=CC=C2)Cl)Cl
(2)InChI: InChI=1S/C13H9Cl2NO2/c14-9-5-3-7-11(12(9)15)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18)
(3)InChIKey: JONFYSWOLCTYFK-UHFFFAOYSA-N