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CAS No.: | 129295-31-4 |
---|---|
Name: | 6-CHLORO-1H-INDAZOLE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C8H5ClN2O2 |
Molecular Weight: | 196.593 |
Synonyms: | 6-Chloro-1H-indazole-3-carboxylicacid;6-Chloroindazole-3-carboxylic acid; |
Density: | 1.644g/cm3 |
Boiling Point: | 472.131 °C at 760 mmHg |
Flash Point: | 239.336 °C |
PSA: | 65.98000 |
LogP: | 1.91450 |
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The 6-Chloro-1H-indazole-3-carboxylicacid, with CAS registry number 129295-31-4, has the systematic name of 6-chloro-1H-indazole-3-carboxylic acid. Besides this, it is also called 6-Chloroindazole-3-carboxylic acid. And the chemical formula of this chemical is C8H5ClN2O2.
Physical properties of 6-Chloro-1H-indazole-3-carboxylicacid: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.98 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 48.445 cm3; (15)Molar Volume: 119.576 cm3; (16)Polarizability: 19.205×10-24cm3; (17)Surface Tension: 84.794 dyne/cm; (18)Density: 1.644 g/cm3; (19)Flash Point: 239.336 °C; (20)Enthalpy of Vaporization: 77.432 kJ/mol; (21)Boiling Point: 472.131 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2c(c1)nnc2C(=O)O
(2)InChI: InChI=1/C8H5ClN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: MCGHMISXTKQRRF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: MCGHMISXTKQRRF-UHFFFAOYSA-N