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Name |
1H-Indazole-7-boronic acid |
EINECS | N/A |
CAS No. | 915411-01-7 | Density | 1.42 g/cm3 |
PSA | 69.14000 | LogP | -0.75730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H7BN2O2 | Boiling Point | 457 °C at 760 mmHg |
Molecular Weight | 161.956 | Flash Point | 230.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boronic acid, B-1H-indazol-7-yl-; |
Article Data | 3 |
The 1H-Indazole-7-boronic acid, with the CAS registry number of 915411-01-7, is also known as Boronic acid, B-1H-indazol-7-yl-. It belongs to the product categories of Indazole; Organoborons. This chemical's molecular formula is C7H7BN2O2 and molecular weight is 151.0.
Physical properties about the are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.12; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 69.14 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 42.56 cm3; (11)Molar Volume: 113.8 cm3; (12)Surface Tension: 73.7 dyne/cm; (13)Density: 1.42 g/cm3; (14)Flash Point: 230.2 °C; (15)Enthalpy of Vaporization: 75.56 kJ/mol; (16)Boiling Point: 457 °C at 760 mmHg; (17)Vapour Pressure: 3.81E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc2c1[nH]nc2)(O)O
(2) InChI: InChI=1/C7H7BN2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h1-4,11-12H,(H,9,10)
(3) InChIKey: QAHHYPPRKWNXHT-UHFFFAOYAA