3-Aminocarbonylphenylboronic acid

The Boronic acid,B-[3-(aminocarbonyl)phenyl]- , with cas registry number of 351422-73-6, belongs to the categories of (1)blocks; (2)BoronicAcids; (3)Carboxes; (4)Boronic acids; (5)Heterocyclic Compounds; (6)Amide;Aryl; (7)Organoborons; (8)Boronic acid. It has other synonyms such as 3-Aminocarbonylphenylboronic acid ; (3-Aminocarbonylphenyl)boronic acid ; 3-Carboxamidephenylboronic acid . Its IUPAC name and systematic name are called the same which is called (3-carbamoylphenyl)boronic acid .

Physical properties of Boronic acid,B-[3-(aminocarbonyl)phenyl]- are: (1) ACD/LogP: 0.11 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.11 ; (4) ACD/LogD (pH 7.4): -0.03 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 27.27 ; (8) ACD/KOC (pH 7.4): 19.87 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 4 ; (12) Index of Refraction: 1.585 ; (13) Molar Refractivity: 41.65 cm³ ; (14) Molar Volume: 124.2 cm³ ; (15) Surface Tension: 59.4 dyne/cm ; (16) Density: 1.32 g/cm³ ; (17) Flash Point: 200.6 °C ; (18) Enthalpy of Vaporization: 69.6 kJ/mol ; (19) Boiling Point: 408.1 °C at 760 mmHg ; (20) Vapour Pressure: 2.16E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. Wear suitable protective clothing, if you want to use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After use it, keep it cold.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(c1cc(B(O)O)ccc1)N;
(2) InChI:InChI=1/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10);
(3) InChIKey:WDGWHKRJEBENCE-UHFFFAOYAN