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| Name |
Boronicacid, B-[4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]- |
EINECS | N/A |
| CAS No. | 913835-38-8 | Density | 1.22 g/cm3 |
| PSA | 69.56000 | LogP | 1.30850 |
| Solubility | N/A | Melting Point |
234-236°C |
| Formula | C15H16BNO3 | Boiling Point | N/A |
| Molecular Weight | 289.52192 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]- (9CI); |
Boronicacid, B-[4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]- Specification
The Boronicacid, B-[4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]-, with CAS registry number 913835-38-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[(2,4-dimethylphenyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C15H16BNO3.
Physical properties of Boronicacid, B-[4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]-: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.84; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 69.56 Å2; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 75.63 cm3; (11)Molar Volume: 219.8 cm3; (12)Polarizability: 29.98×10-24cm3; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.22 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2ccc(cc2C)C)(O)O
(2)InChI: InChI=1/C15H16BNO3/c1-10-3-8-14(11(2)9-10)17-15(18)12-4-6-13(7-5-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
(3)InChIKey: IOBVTQYGKMKSSL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H16BNO3/c1-10-3-8-14(11(2)9-10)17-15(18)12-4-6-13(7-5-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
(5)Std. InChIKey: IOBVTQYGKMKSSL-UHFFFAOYSA-N
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