Boronic acid,B-[4-[(ethylamino)carbonyl]-3-fluorophenyl]- supplier

Name
4-(ETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID
EINECS
CAS No. 874289-12-0
Density 1.27 g/cm³
Solubility
Melting Point 157-160 °C
Formula C₉H₁₁BFNO₃
Boiling Point
Molecular Weight 211.001
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(ethylamino)carbonyl]-3-fluorophenyl]- (9CI);
PSA 69.56000
LogP -0.35390

Boronic acid,B-[4-[(ethylamino)carbonyl]-3-fluorophenyl]- Specification

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

Product Name

4-(ETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

Boronic acid,B-[4-[(ethylamino)carbonyl]-3-fluorophenyl]- Specification

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