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| CAS No.: | 850567-33-8 |
|---|---|
| Name: | 3-(2-METHOXYETHYLAMINOCARBONYL)BENZENEBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C10H14BNO4 |
| Molecular Weight: | 223.036 |
| Synonyms: | Boronicacid, [3-[[(2-methoxyethyl)amino]carbonyl]phenyl]- (9CI);[3-(2-Methoxyethylcarbamoyl)phenyl]boronic acid;3-(2-Methoxyethylaminocarbonyl)phenylboronicacid;3-(2-Methoxyethylaminocarbonyl)benzeneboronic acid; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 130-132 ºC |
| Hazard Symbols: |
 Xi
|
| PSA: | 78.79000 |
| LogP: | -0.86650 |
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Specification
The Boronic acid,B-[3-[[(2-methoxyethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850567-33-8, is also known as 3-(2-Methoxyethylaminocarbonyl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C10H14BNO4 and molecular weight is 223.03. What's more, its systematic name is [3-(2-methoxyethylcarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[3-[[(2-methoxyethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.14; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 78.79 Å2; (9)Index of Refraction: 1.536; (10)Molar Refractivity: 57.31 cm3; (11)Molar Volume: 183.6 cm3; (12)Polarizability: 22.72×10-24cm3; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.21 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)NCCOC)(O)O
(2)InChI: InChI=1S/C10H14BNO4/c1-16-6-5-12-10(13)8-3-2-4-9(7-8)11(14)15/h2-4,7,14-15H,5-6H2,1H3,(H,12,13)
(3)InChIKey: QVHVUTWTDDOULZ-UHFFFAOYSA-N