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Name |
Boronic acid,B-[3-[(2H-tetrazol-5-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 850567-38-3 | Density | N/A |
PSA | 124.02000 | LogP | -0.99320 |
Solubility | N/A | Melting Point |
300 °C |
Formula | C8H9BClN5O3 | Boiling Point | 577.3 °C at 760 mmHg |
Molecular Weight | 269.45 | Flash Point | 302.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-[(1H-tetrazol-5-ylamino)carbonyl]phenyl]-, monohydrochloride (9CI);[3-(1H-Tetrazol-5-ylcarbamoyl)phenyl]boronic acid hydrochloride;3-(1H-Tetrazol-5-yl-carbamoyl)phenylboronic acid, HCl; |
The Boronic acid,B-[3-[(2H-tetrazol-5-ylamino)carbonyl]phenyl]-, hydrochloride (1:1), with the CAS registry number 850567-38-3, is also known as 3-(1H-Tetrazol-5-yl-carbamoyl)phenylboronic acid, HCl. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C8H9BClN5O3 and molecular weight is 269.45. What's more, its systematic name is [3-(1H-tetrazol-5-ylcarbamoyl)phenyl]boronic acid hydrochloride.
Physical properties of Boronic acid,B-[3-[(2H-tetrazol-5-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 8; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 124.02 Å2; (6)Flash Point: 302.9 °C; (7)Enthalpy of Vaporization: 90.91 kJ/mol; (8)Boiling Point: 577.3 °C at 760 mmHg; (9)Vapour Pressure: 3.63E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)Nc2[nH]nnn2)(O)O.Cl
(2)InChI: InChI=1S/C8H8BN5O3.ClH/c15-7(10-8-11-13-14-12-8)5-2-1-3-6(4-5)9(16)17;/h1-4,16-17H,(H2,10,11,12,13,14,15);1H
(3)InChIKey: PWSGJXZLSYWEAJ-UHFFFAOYSA-N