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874288-39-8

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Basic Information
CAS No.: 874288-39-8
Name: 4-Carbamoyl-3-fluorophenylboronic acid
Molecular Structure:
Molecular Structure of 874288-39-8 (4-Carbamoyl-3-fluorophenylboronic acid)
Formula: C7H7BFNO3
Molecular Weight: 182.947
Synonyms: Boronicacid, [4-(aminocarbonyl)-3-fluorophenyl]- (9CI);4-Carbamoyl-3-fluorophenylboronic acid;[4-(Aminocarbonyl)-3-fluorophenyl]boronicacid;
Density: 1.41 g/cm3
Boiling Point: 363.1 °C at 760 mmHg
Flash Point: 173.4 °C
Hazard Symbols: IrritantXi
PSA: 83.55000
LogP: -0.69530
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Specification

The 4-Carbamoyl-3-fluorophenylboronic acid, with the CAS registry number 874288-39-8, is also known as 4-Carbamoyl-3-fluorobenzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Fluoro Compounds. This chemical's molecular formula is C7H7BFNO3 and formula weight is 182.94. What's more, its systematic name is called (4-Carbamoyl-3-fluoro-phenyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 83.55 Å2; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 41.76 cm3; (9)Molar Volume: 128.9 cm3; (10)Surface Tension: 55.6 dyne/cm; (11)Density: 1.41 g/cm3; (12)Flash Point: 173.4 °C; (13)Enthalpy of Vaporization: 64.27 kJ/mol; (14)Boiling Point: 363.1 °C at 760 mmHg; (15)Vapour Pressure: 6.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)F)C(=O)N)(O)O
(2)InChI: InChI=1/C7H7BFNO3/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H2,10,11)
(3)InChIKey: LKXXEWDYAWOZRW-UHFFFAOYAH