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CAS No.: | 850568-25-1 |
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Name: | 4-(PYRIDIN-2-YL)AMINOCARBONYLPHENYLBORONIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H11BN2O3 |
Molecular Weight: | 242.042 |
Synonyms: | Boronicacid, [4-[(2-pyridinylamino)carbonyl]phenyl]- (9CI);[4-[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid;[4-(2-Pyridylcarbamoyl)phenyl]boronic acid; |
Density: | 1.33 g/cm3 |
Melting Point: | 124-128 ºC |
Hazard Symbols: | Xi |
PSA: | 82.45000 |
LogP: | 0.08670 |
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The Boronic acid,B-[4-[(2-pyridinylamino)carbonyl]phenyl]-, with the CAS registry number 850568-25-1, is also known as [4-[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C12H11BN2O3 and molecular weight is 242.04. What's more, its systematic name is [4-(2-pyridylcarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-[(2-pyridinylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.41; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 82.45 Å2; (9)Index of Refraction: 1.627; (10)Molar Refractivity: 64.19 cm3; (11)Molar Volume: 181 cm3; (12)Polarizability: 25.44×10-24cm3; (13)Surface Tension: 64.3 dyne/cm; (14)Density: 1.33 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2ccccn2)(O)O
(2)InChI: InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
(3)InChIKey: LEAZDTWQWNXKJM-UHFFFAOYSA-N