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541539-86-0

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Basic Information
CAS No.: 541539-86-0
Name: 2H-INDAZOLE, 5-CHLORO-2-METHYL-
Molecular Structure:
Molecular Structure of 541539-86-0 (2H-INDAZOLE, 5-CHLORO-2-METHYL-)
Formula: C8H7ClN2
Molecular Weight: 166.61
Synonyms: 5-Chloro-2-methyl-2H-indazole;
Density: 1.3 g/cm3
Boiling Point: 299.814 °C at 760 mmHg
Flash Point: 135.123 °C
PSA: 17.82000
LogP: 2.22670
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Specification

The CAS register number of 2H-Indazole,5-chloro-2-methyl- is 541539-86-0. The systematic name about this chemical is 5-chloro-2-methyl-2H-indazole. The molecular formula about this chemical is C8H7ClN2 and the molecular weight is 166.61.

Physical properties about 2H-Indazole,5-chloro-2-methyl- are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 40; (5)ACD/BCF (pH 7.4): 40; (6)ACD/KOC (pH 5.5): 485; (7)ACD/KOC (pH 7.4): 485; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.633; (11)Molar Refractivity: 45.738 cm3; (12)Molar Volume: 128.124 cm3; (13)Polarizability: 18.132x10-24cm3; (14)Surface Tension: 43.395 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 135.123 °C; (17)Enthalpy of Vaporization: 51.825 kJ/mol; (18)Boiling Point: 299.814 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nn(c1)C)cc2
(2)InChI: InChI=1/C8H7ClN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
(3)InChIKey: ZIVDVXPZNUZSHT-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H7ClN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
(5)Std. InChIKey: ZIVDVXPZNUZSHT-UHFFFAOYSA-N