Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 5-chloro-1H-indazole-3-carboxylate |
EINECS | N/A |
CAS No. | 1079-46-5 | Density | 1.453 g/cm3 |
PSA | 54.98000 | LogP | 2.00290 |
Solubility | N/A | Melting Point |
207 °C |
Formula | C9H7ClN2O2 | Boiling Point | 378.737 °C at 760 mmHg |
Molecular Weight | 210.62 | Flash Point | 182.854 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl5-chloro-1H-indazole-3-carboxylate; |
Article Data | 7 |
The cas register number of Methyl 5-chloro-1H-indazole-3-carboxylate is 1079-46-5. It also can be called as 1H-Indazole-3-carboxylicacid, 5-chloro-, methyl ester and the IUPAC Name about this chemical is methyl 5-chloro-1H-indazole-3-carboxylate.
Physical properties about Methyl 5-chloro-1H-indazole-3-carboxylate are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 117; (5)ACD/BCF (pH 7.4): 117; (6)ACD/KOC (pH 5.5): 1051; (7)ACD/KOC (pH 7.4): 1051; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.98Å2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 53.288 cm3; (14)Molar Volume: 144.939 cm3; (15)Polarizability: 21.125x10-24cm3; (16)Surface Tension: 61.313 dyne/cm; (17)Enthalpy of Vaporization: 62.667 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c2cc(ccc2[nH]n1)Cl
(2)InChI: InChI=1/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
(3)InChIKey: OFHGAYNAKIWVOL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: OFHGAYNAKIWVOL-UHFFFAOYSA-N