(3-Fluorophenyl)carbamic acid benzyl ester

HCID 895321

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Basic information

CAS: 149524-47-0
Standard SMILES: O=C(Nc1cccc(F)c1)OCc1ccccc1
InChIKey: LHLKGCMCFFJNCS-UHFFFAOYSA-N
Molecular formula: C14H12FNO2
Average molar mass: 245.25 g/mol
Monoisotopic mass: 245.08520684

Overview

See also: (3-Fluorophenyl)-carbamic acid benzyl ester (annotation moved to).

Names & identifiers

Preferred name: (3-Fluorophenyl)carbamic acid benzyl ester
IUPAC: benzyl N-(3-fluorophenyl)carbamate
English name: (3-Fluorophenyl)carbamic acid benzyl ester
Molecular formula: C14H12FNO2
Molecular weight: 245.25

Names & synonyms

(3-Fluorophenyl)carbamic acid benzyl esterRefChem:400254149524-47-0benzyl (3-fluorophenyl)carbamatebenzyl N-(3-fluorophenyl)carbamateMFCD01013386Carbamic acid, N-(3-fluorophenyl)-, phenylmethyl esterN-Cbz-3-fluoroanilineCarbamic acid,N-(3-fluorophenyl)-, phenylmethyl esterTedizolidted Impurity 34N-carbobenzyloxy-3-fluoroanilineUridine Impurity 31

Show more names

Trozolamide impurity 39benzyl(3-fluorophenyl)carbamateSCHEMBL10346581-(Cbz-amino)-3-fluorobenzeneSCHEMBL27527523DTXSID50358442LHLKGCMCFFJNCS-UHFFFAOYSA-NN-(carbobenzyloxy)-3-fluoroaniline

Database identifiers

CAS: 149524-47-0
PubChem CID: 895321
DTXSID: DTXSID50358442

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 267

Physicochemical properties

Boiling point: 320.4 · 320.4±35.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.01 · 13.01±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P