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CAS No.: | 874289-46-0 |
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Name: | 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C9H11BFNO3 |
Molecular Weight: | 211.001 |
Synonyms: | Boronicacid, [5-[(dimethylamino)carbonyl]-2-fluorophenyl]- (9CI); |
Density: | 1.28 g/cm3 |
Melting Point: | 143-147 ºC |
Boiling Point: | 433.2 °C at 760 mmHg |
Flash Point: | 215.8 °C |
Hazard Symbols: | Xi |
PSA: | 60.77000 |
LogP: | -0.79270 |
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The Boronic acid,B-[5-[(dimethylamino)carbonyl]-2-fluorophenyl]-, with the CAS registry number 874289-46-0, is also known as 5-(Dimethylcarbamoyl)-2-fluorobenzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C9H11BFNO3 and molecular weight is 210.9979. What's more, its systematic name is [5-(Dimethylcarbamoyl)-2-fluoro-phenyl]boronic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Boronic acid,B-[5-[(dimethylamino)carbonyl]-2-fluorophenyl]- are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 60.77 Å2; (8)Index of Refraction: 1.535; (9)Molar Refractivity: 51.28 cm3; (10)Molar Volume: 164.5 cm3; (11)Polarizability: 20.33×10-24 cm3; (12)Surface Tension: 46.1 dyne/cm; (13)Density: 1.28 g/cm3; (14)Flash Point: 215.8 °C; (15)Enthalpy of Vaporization: 72.64 kJ/mol; (16)Boiling Point: 433.2 °C at 760 mmHg; (17)Vapour Pressure: 2.83E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(ccc1F)C(=O)N(C)C)(O)O
(2) InChI: InChI=1/C9H11BFNO3/c1-12(2)9(13)6-3-4-8(11)7(5-6)10(14)15/h3-5,14-15H,1-2H3
(3) InChIKey: BCTHFQUQSOEPDW-UHFFFAOYAZ