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CAS No.: | 1040101-02-7 |
---|---|
Name: | 1H-INDAZOLE-7-CARBOXAMIDE, 3-BROMO- |
Molecular Structure: | |
Formula: | C8H6BrN3O |
Molecular Weight: | 240.06 |
Synonyms: | 3-Bromo-1H-indazole-7-carboxamide;1H-INDAZOLE-7-CARBOXAMIDE, 3-BROMO- |
Density: | 1.846 g/cm3 |
Boiling Point: | 530.2 °C at 760 mmHg |
Flash Point: | 274.4 °C |
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The CAS registry number of 1H-Indazole-7-carboxamide,3-bromo- is 1040101-02-7. This chemical's molecular formula is C8H6BrN3O and molecular weight is 240.06. Its systematic name is called 3-Bromo-1H-indazole-7-carboxamide.
Physical properties of 1H-Indazole-7-carboxamide,3-bromo-: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 4.14; (5)ACD/BCF (pH 7.4): 4.13; (6)ACD/KOC (pH 5.5): 96.16; (7)ACD/KOC (pH 7.4): 95.97; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.755; (12)Molar Refractivity: 53.24 cm3; (13)Molar Volume: 129.9 cm3; (14)Surface Tension: 80.8 dyne/cm; (15)Density: 1.846 g/cm3; (16)Flash Point: 274.4 °C; (17)Enthalpy of Vaporization: 80.54 kJ/mol; (18)Boiling Point: 530.2 °C at 760 mmHg; (19)Vapour Pressure: 2.53E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)C(=O)N)[nH]nc2Br
(2)InChI: InChI=1/C8H6BrN3O/c9-7-4-2-1-3-5(8(10)13)6(4)11-12-7/h1-3H,(H2,10,13)(H,11,12)
(3)InChIKey: MAXHWVGYGVICIC-UHFFFAOYAX