Basic Information | Post buying leads | Suppliers |
Name |
6-Chloro-1H-indazole-3-carboxylicacid |
EINECS | N/A |
CAS No. | 129295-31-4 | Density | 1.644g/cm3 |
PSA | 65.98000 | LogP | 1.91450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5ClN2O2 | Boiling Point | 472.131 °C at 760 mmHg |
Molecular Weight | 196.593 | Flash Point | 239.336 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Chloro-1H-indazole-3-carboxylicacid;6-Chloroindazole-3-carboxylic acid; |
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