Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-3-indazolecarboxylic acid |
EINECS | N/A |
CAS No. | 1077-95-8 | Density | 1.644 g/cm3 |
PSA | 65.98000 | LogP | 1.91450 |
Solubility | N/A | Melting Point |
337 °C |
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 | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chloro-1H-indazole-3-carboxylicacid;5-Chloroindazole-3-carboxylic acid; |
Article Data | 6 |
The CAS register number of 5-Chloro-3-indazolecarboxylic acid is 1077-95-8. It also can be called as 1H-Indazole-3-carboxylicacid, 5-chloro- and the IUPAC name about this chemical is 5-chloro-1H-indazole-3-carboxylic acid. It belongs to the following product categories, such as pharmacetical, Indazole and so on.
Physical properties about 5-Chloro-3-indazolecarboxylic acid are: (1)ACD/LogP: 2.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 65.98Å2; (10)Index of Refraction: 1.744; (11)Molar Refractivity: 48.445 cm3; (12)Molar Volume: 119.576 cm3; (13)Polarizability: 19.205x10-24cm3; (14)Surface Tension: 84.794 dyne/cm; (15)Enthalpy of Vaporization: 77.432 kJ/mol; (16)Boiling Point: 472.131 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)C(=O)O
(2)InChI: InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: WHAJIAULUPQHHZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: WHAJIAULUPQHHZ-UHFFFAOYSA-N