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Methyl 5-chloro-1H-indazole-3-carboxylate

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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 Molecular Structure of 1079-46-5 (METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE) Hazard Symbols N/A
Synonyms

Methyl5-chloro-1H-indazole-3-carboxylate;

Article Data 7

Methyl 5-chloro-1H-indazole-3-carboxylate Specification

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

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