Boronic acid, B-[2-(acetylamino)phenyl]- (169760-16-1)

The 2-Acetamidophenylboronic acid , with cas registry number of 169760-16-1, is kind of categories of Amines; blocks; BoronicAcids; Boronic acids. Its IUPAC name and systematic name is also called (2-acetamidophenyl)boronic acid .

Physical properties of 2-Acetamidophenylboronic acid are: (1) ACD/LogP: 0.45 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.45 ; (4) ACD/LogD (pH 7.4): 0.42 ; (5) ACD/BCF (pH 5.5): 1.3 ; (6) ACD/BCF (pH 7.4): 1.22 ; (7) ACD/KOC (pH 5.5): 42.01 ; (8) ACD/KOC (pH 7.4): 39.31 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 4 ; (12) Index of Refraction: 1.553 ; (13) Molar Refractivity: 46.31 cm³ ; (14) Molar Volume: 144.6 cm³ ; (15) Surface Tension: 49.4 dyne/cm ; (16) Density: 1.23 g/cm³.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Its Hazard note is harmful and the hazardClass is IRRITANT. So wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(Nc1ccccc1B(O)O)C;
(2) InChI:InChI=1/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11);
(3) InChIKey:UMOPBIVXPOETPG-UHFFFAOYAS