(3-Fluorophenyl)carbamic acid benzyl ester supplier

Name
(3-Fluorophenyl)carbamic acid benzyl ester
EINECS
CAS No. 149524-47-0
Article Data15
CAS DataBase
Density 1.265g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂FNO₂
Boiling Point 320.4 °C at 760 mmHg
Molecular Weight 245.253
Flash Point 147.6 °C
Transport Information
Appearance White to off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (3-fluorophenyl)-, phenylmethyl ester (9CI);(3-Fluorophenyl)carbamicacid benzyl ester;N-Carbobenzoxy-3-fluoroaniline;
PSA 38.33000
LogP 3.64740

(3-Fluorophenyl)carbamic acid benzyl ester Specification

The (3-Fluorophenyl)carbamic acid benzyl ester, with cas registry number 149524-47-0, belongs to the following product categories: pharmacetical. It has the systematic name of benzyl (3-fluorophenyl)carbamate. And its IUPAC name is benzyl N-(3-fluorophenyl)carbamate.

Physical properties about this chemical are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 232.62; (6)ACD/BCF (pH 7.4): 232.62; (7)ACD/KOC (pH 5.5): 1720.5; (8)ACD/KOC (pH 7.4): 1720.5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 66.75 cm³; (15)Molar Volume: 193.7 cm³; (16)Polarizability: 26.46×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 56.21 kJ/mol; (19)Vapour Pressure: 0.000317 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)Nc2cccc(F)c2
(2)InChI: InChI=1/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
(3)InChIKey: LHLKGCMCFFJNCS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
(5)Std. InChIKey: LHLKGCMCFFJNCS-UHFFFAOYSA-N

Product Name

(3-Fluorophenyl)carbamic acid benzyl ester

(3-Fluorophenyl)carbamic acid benzyl ester Specification

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