CAS No.1081-04-5,5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1081-04-5
Name:	5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data:	5

Formula:	C₁₀H₉BrN₂O₂
Molecular Weight:	269.098
Synonyms:	Ethyl5-bromoindazole-3-carboxylate;
Density:	1.624 g/cm³
Melting Point:	142 °C
Boiling Point:	406.4 °C at 760 mmHg
Flash Point:	199.6 °C
PSA:	54.98000
LogP:	2.50210

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Specification

This chemical is called 1H-Indazole-3-carboxylicacid, 5-bromo-, ethyl ester, and its systematic name is ethyl 5-bromo-1H-indazole-3-carboxylate. With the molecular formula of C₁₀H₉BrN₂O₂, its molecular weight is 269.09. The CAS registry number of this chemical is 1081-04-5.

Other characteristics of the 1H-Indazole-3-carboxylicacid, 5-bromo-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.31; (6)ACD/BCF (pH 7.4): 94.26; (7)ACD/KOC (pH 5.5): 901.56; (8)ACD/KOC (pH 7.4): 901.09; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.98 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 60.71 cm³; (15)Molar Volume: 165.6 cm³; (16)Polarizability: 24.06×10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.624 g/cm³; (19)Flash Point: 199.6 °C; (20)Enthalpy of Vaporization: 65.81 kJ/mol; (21)Boiling Point: 406.4 °C at 760 mmHg; (22)Vapour Pressure: 8.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2nnc1ccc(Br)cc12
2.InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
3.InChIKey: DKVWLGFTRAWGAD-UHFFFAOYAM