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CAS No.: | 885275-47-8 |
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Name: | 1-(4-Bromo-phenyl)-1H-indazole-3-carboxylic acid |
Molecular Structure: | |
Formula: | C14H9BrN2O2 |
Molecular Weight: | 317.14 |
Synonyms: | 1H-Indazole-3-carboxylicacid, 1-(4-bromophenyl)-;1-(4-Bromophenyl)indazole-3-carboxylic acid; |
Density: | 1.625 g/cm3 |
Boiling Point: | 423.21 °C at 760 mmHg |
Flash Point: | 209.75 °C |
PSA: | 55.12000 |
LogP: | 3.48620 |
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The 1-(4-Bromo-phenyl)-1H-indazole-3-carboxylic acid, with the CAS registry number 885275-47-8, is also known as 1H-Indazole-3-carboxylicacid, 1-(4-bromophenyl)-. This chemical's molecular formula is C14H9BrN2O2 and molecular weight is 317.14. What's more, its systematic name is 1-(4-bromophenyl)indazole-3-carboxylic acid.
Physical properties of 1-(4-Bromo-phenyl)-1H-indazole-3-carboxylic acid are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.142; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.022; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.12 Å2; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 75.688 cm3; (14)Molar Volume: 195.105 cm3; (15)Polarizability: 30.005×10-24cm3; (16)Surface Tension: 58.362 dyne/cm; (17)Density: 1.625 g/cm3; (18)Flash Point: 209.75 °C; (19)Enthalpy of Vaporization: 71.424 kJ/mol; (20)Boiling Point: 423.21 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(nn2c3ccc(cc3)Br)C(=O)O
(2)Std. InChI: InChI=1S/C14H9BrN2O2/c15-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(16-17)14(18)19/h1-8H,(H,18,19)
(3)Std. InChIKey: SJSWGEBZCIMQKT-UHFFFAOYSA-N