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CAS No.: | 850568-17-1 |
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Name: | 4-(O-METHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C8H10BNO4 |
Molecular Weight: | 194.983 |
Synonyms: | Boronicacid, [4-[(methoxyamino)carbonyl]phenyl]- (9CI);[4-(Methoxycarbamoyl)phenyl]boronic acid;4-(O-Methylhydroxylaminocarbonyl)phenylboronic acid; |
Density: | 1.29 g/cm3 |
Melting Point: | 130-136 ºC |
Hazard Symbols: | Xi |
PSA: | 78.79000 |
LogP: | -0.95150 |
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The Boronic acid,B-[4-[(methoxyamino)carbonyl]phenyl]-, with the CAS registry number 850568-17-1, is also known as 4-(O-Methylhydroxylaminocarbonyl)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C8H10BNO4 and molecular weight is 194.98. What's more, its systematic name is [4-(methoxycarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-[(methoxyamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 48 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 48.05 cm3; (9)Molar Volume: 150.9 cm3; (10)Polarizability: 19.04×10-24cm3; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.29 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)NOC
(2)InChI: InChI=1S/C8H10BNO4/c1-14-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
(3)InChIKey: MZZWCLBDQROHHS-UHFFFAOYSA-N