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CAS No.: | 541539-87-1 |
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Name: | 2H-INDAZOLE, 6-CHLORO-2-METHYL- |
Molecular Structure: | |
Formula: | C8H7ClN2 |
Molecular Weight: | 166.61 |
Synonyms: | 6-Chloro-2-methyl-2H-indazole; |
EINECS: | 604-604-1 |
Density: | 1.3 g/cm3 |
Boiling Point: | 299.8 °C at 760 mmHg |
Flash Point: | 135.1 °C |
PSA: | 17.82000 |
LogP: | 2.22670 |
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The CAS register number of 2H-Indazole,6-chloro-2-methyl- is 541539-87-1. The systematic name about this chemical is 6-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,6-chloro-2-methyl- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 39.61; (5)ACD/BCF (pH 7.4): 39.61; (6)ACD/KOC (pH 5.5): 484.57; (7)ACD/KOC (pH 7.4): 484.57; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 45.73 cm3; (12)Molar Volume: 128.1 cm3; (13)Polarizability: 18.13x10-24cm3; (14)Surface Tension: 43.3 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 135.1 °C; (17)Enthalpy of Vaporization: 51.82 kJ/mol; (18)Boiling Point: 299.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00208 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(nn(c1)C)c2
(2)InChI: InChI=1/C8H7ClN2/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,1H3
(3)InChIKey: VMLMCURMWQPXSP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7ClN2/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,1H3
(5)Std. InChIKey: VMLMCURMWQPXSP-UHFFFAOYSA-N