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1H-Indazole-3-carbonitrile,5-chloro- (29646-35-3)

Identification
Name:1H-Indazole-3-carbonitrile,5-chloro-
Synonyms:3-Cyano-5-chloro-1H-indazole;5-Chloro-1H-indazole-3-carbonitrile;
CAS:29646-35-3
Molecular Formula: C8H4ClN3
Molecular Weight: 0
InChI: InChI=1/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
Molecular Structure: (C8H4ClN3) 3-Cyano-5-chloro-1H-indazole;5-Chloro-1H-indazole-3-carbonitrile;
Properties
Density:1.5 g/cm3
Refractive index:1.696
Specification:

The 5-Chloro-1H-indazole-3-carbonitrile with its cas register number is 29646-35-3. It also can be called as 3-Cyano-5-chloro-1H-indazole and the Systematic name about this chemical is 5-chloro-1H-indazole-3-carbonitrile. It belongs to the Indazole.

Physical properties about 5-Chloro-1H-indazole-3-carbonitrile are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 15.04; (5)ACD/BCF (pH 7.4): 14.96; (6)ACD/KOC (pH 5.5): 242.28; (7)ACD/KOC (pH 7.4): 241.02; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 52.47Å2; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 45.42 cm3; (13)Molar Volume: 118 cm3; (14)Polarizability: 18x10-24cm3; (15)Surface Tension: 79.1 dyne/cm; (16)Enthalpy of Vaporization: 65.42 kJ/mol; (17)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)C#N
(2)InChI: InChI=1/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
(3)InChIKey: QMIBICADHKQAJK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
(5)Std. InChIKey: QMIBICADHKQAJK-UHFFFAOYSA-N

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