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1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)- (54006-63-2)

Identification
Name:1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-
Synonyms:5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylicacid;5-(4-Chlorophenyl)pyrazole-3-carboxylic acid;
CAS:54006-63-2
Molecular Formula: C10H7ClN2O2
Molecular Weight: 222.63
InChI: InChI=1/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)/p-1
Molecular Structure: (C10H7ClN2O2) 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylicacid;5-(4-Chlorophenyl)pyrazole-3-carboxylic acid;
Properties
Density:1.476 g/cm3
Specification:

The 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid with the CAS number 54006-63-2 is also called 1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-. The systematic name is 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid. Its molecular formula is C10H7ClN2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.874; (4)ACD/LogD (pH 7.4): 0.481; (5)ACD/BCF (pH 5.5): 6.466; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.568; (8)ACD/KOC (pH 7.4): 1.887; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.98 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 55.194 cm3; (15)Molar Volume: 150.745 cm3; (16)Polarizability: 21.881×10-24cm3; (17)Surface Tension: 67.686 dyne/cm; (18)Enthalpy of Vaporization: 82.924 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2cc(n[nH]2)C(=O)O)Cl
(2)InChI: InChI=1/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
(3)InChIKey: WYTQCLKZYRFUIQ-UHFFFAOYAS

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