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1H-Indazole-3-carboxylicacid, 5-chloro- (1077-95-8)

Identification
Name:1H-Indazole-3-carboxylicacid, 5-chloro-
Synonyms:5-Chloro-1H-indazole-3-carboxylicacid;5-Chloroindazole-3-carboxylic acid;
CAS:1077-95-8
Molecular Formula: C8H5ClN2O2
Molecular Weight: 196.59
InChI: InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
Molecular Structure: (C8H5ClN2O2) 5-Chloro-1H-indazole-3-carboxylicacid;5-Chloroindazole-3-carboxylic acid;
Properties
Density:1.644g/cm3
Refractive index:1.744
Specification:

The CAS register number of 5-Chloro-3-indazolecarboxylic acid is 1077-95-8. It also can be called as 1H-Indazole-3-carboxylicacid, 5-chloro- and the IUPAC name about this chemical is 5-chloro-1H-indazole-3-carboxylic acid. It belongs to the following product categories, such as pharmacetical, Indazole and so on.

Physical properties about 5-Chloro-3-indazolecarboxylic acid are: (1)ACD/LogP: 2.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 65.98Å2; (10)Index of Refraction: 1.744; (11)Molar Refractivity: 48.445 cm3; (12)Molar Volume: 119.576 cm3; (13)Polarizability: 19.205x10-24cm3; (14)Surface Tension: 84.794 dyne/cm; (15)Enthalpy of Vaporization: 77.432 kJ/mol; (16)Boiling Point: 472.131 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)C(=O)O
(2)InChI: InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: WHAJIAULUPQHHZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: WHAJIAULUPQHHZ-UHFFFAOYSA-N

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