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| CAS No.: | 850593-04-3 |
|---|---|
| Name: | 4-(2-HYDROXYETHYLCARBAMOYL)BENZENEBORONIC ACID 98 |
| Molecular Structure: | |
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| Formula: | C9H12BNO4 |
| Molecular Weight: | 209.01 |
| Synonyms: | Boronicacid, [4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]- (9CI);4-(2-Hydroxyethylcarbamoyl)phenylboronic acid;N-2-Hydroxyethyl 4-boronobenzamide; |
| Density: | 1.31 g/cm3 |
| Melting Point: | 228-230 ºC |
| Hazard Symbols: |
 Xi
|
| PSA: | 89.79000 |
| LogP: | -1.52060 |
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Specification
The Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850593-04-3, is also known as N-2-Hydroxyethyl 4-boronobenzamide. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C9H12BNO4 and molecular weight is 209.01. What's more, its systematic name is [4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 89.79 Å2; (6)Index of Refraction: 1.576; (7)Molar Refractivity: 52.47 cm3; (8)Molar Volume: 158.5 cm3; (9)Polarizability: 20.8×10-24cm3; (10)Surface Tension: 59.6 dyne/cm; (11)Density: 1.31 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCO)(O)O
(2)InChI: InChI=1S/C9H12BNO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12,14-15H,5-6H2,(H,11,13)
(3)InChIKey: UEHHULJBSYEFDG-UHFFFAOYSA-N