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CAS No.: | 874289-12-0 |
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Name: | 4-(ETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C9H11BFNO3 |
Molecular Weight: | 211.001 |
Synonyms: | Boronicacid, [4-[(ethylamino)carbonyl]-3-fluorophenyl]- (9CI); |
Density: | 1.27 g/cm3 |
Melting Point: | 157-160 °C |
Hazard Symbols: | Xi |
PSA: | 69.56000 |
LogP: | -0.35390 |
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The Boronic acid,B-[4-[(ethylamino)carbonyl]-3-fluorophenyl]- is an organic compound with the formula C9H11BFNO3. The systematic name of this chemical is [4-(ethylcarbamoyl)-3-fluoro-phenyl]boronic acid. With the CAS registry number 874289-12-0, it is also named as 4-(Ethylcarbamoyl)-3-fluorobenzeneboronic acid. The product's category is Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[4-[(ethylamino)carbonyl]-3-fluorophenyl]- are: (1)ACD/LogP: 0.39; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 69.56 Å2; (6)Index of Refraction: 1.528; (7)Molar Refractivity: 51.05 cm3; (8)Molar Volume: 165.7 cm3; (9)Polarizability: 20.23×10-24cm3; (10)Surface Tension: 45.6 dyne/cm; (11)Density: 1.27 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)F)C(=O)NCC)(O)O
(2)InChI: InChI=1/C9H11BFNO3/c1-2-12-9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
(3)InChIKey: PCACUISZWVJQCI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H11BFNO3/c1-2-12-9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
(5)Std. InChIKey: PCACUISZWVJQCI-UHFFFAOYSA-N