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

Name
4-(CYCLOHEXYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID
EINECS
CAS No. 874289-11-9
Density 1.24 g/cm³
Solubility
Melting Point 157-159 °C
Formula C₁₃H₁₇BFNO₃
Boiling Point
Molecular Weight 265.09
Flash Point
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Cylcohexylcarbamoyl)-3-fluorobenzeneboronic acid;
PSA 69.56000
LogP 0.95890

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

The Boronic acid, B-[4-[(cyclohexylamino)carbonyl]-3-fluorophenyl]-, with the CAS registry number of 874289-11-9, is also known as 4-(Cylcohexylcarbamoyl)-3-fluorobenzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids. Its molecular formula is C₁₃H₁₇BFNO₃ and molecular weight is 265.09. What's more, its systematic name is [4-(Cyclohexylcarbamoyl)-3-fluoro-phenyl]boronic acid.

Physical properties about the Boronic acid, B-[4-[(cyclohexylamino)carbonyl]-3-fluorophenyl]- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.42; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.547; (10)Molar Refractivity: 67.51 cm³; (11)Molar Volume: 212.8 cm³; (12)Surface Tension: 47.8 dyne/cm; (13)Density: 1.24 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(c(c1)F)C(=O)NC2CCCCC2)(O)O
(2) InChI: InChI=1/C13H17BFNO3/c15-12-8-9(14(18)19)6-7-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
(3) InChIKey: GUPNXIZRUYJZEV-UHFFFAOYAZ

Product Name

4-(CYCLOHEXYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

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

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