Name: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE
SKU: 1079-46-5

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Basic Information

Molecular Structure:
CAS No.:	1079-46-5
Name:	METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE
Article Data:	7

Formula:	C₉H₇ClN₂O₂
Molecular Weight:	210.62
Synonyms:	Methyl5-chloro-1H-indazole-3-carboxylate;
Density:	1.453 g/cm³
Melting Point:	207 °C
Boiling Point:	378.737 °C at 760 mmHg
Flash Point:	182.854 °C
PSA:	54.98000
LogP:	2.00290

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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