Products Categories
CAS No.: | 1077-95-8 |
---|---|
Name: | 5-CHLORO-1H-INDAZOLE-3-CARBOXYLIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H5ClN2O2 |
Molecular Weight: | 196.593 |
Synonyms: | 5-Chloro-1H-indazole-3-carboxylicacid;5-Chloroindazole-3-carboxylic acid; |
Density: | 1.644 g/cm3 |
Melting Point: | 337 °C |
Boiling Point: | 472.131 °C at 760 mmHg |
Flash Point: | 239.336 °C |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 65.98000 |
LogP: | 1.91450 |
What can I do for you?
Get Best Price
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