tert-Butyl (4-fluorophenyl)carbamate - ≥98% , CAS No.60144-53-8

CAS: 60144-53-8 Cat. No.: T589616 Molecular Weight: 211.24 PubChem CID: 4935450

GRADE & PURITY ≥98%

Synonyms

STL065427 | SCHEMBL632848 | tert-butyl (4-fluorophenyl)carbamate | (4-fluoro-phenyl)-carbamic acid tert-butyl ester | (4-fluoro-phenyl)carbamic acid tert-butyl ester | (4-fluorophenyl)-carbamic acid tert-butyl ester | AN-329/43385736 | FT-0707950 | PS-800

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

STL065427 | SCHEMBL632848 | tert-butyl (4-fluorophenyl)carbamate | (4-fluoro-phenyl)-carbamic acid tert-butyl ester | (4-fluoro-phenyl)carbamic acid tert-butyl ester | (4-fluorophenyl)-carbamic acid tert-butyl ester | AN-329/43385736 | FT-0707950 | PS-800

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC1=CC=C(C=C1)F
• IUPAC Name: tert-butyl N-(4-fluorophenyl)carbamate
• InChIKey: OJVWNENFSPSLRB-UHFFFAOYSA-N
• INCHI: 1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
• Isomeric SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)F
• PubChem CID: 4935450
• Molecular Weight: 211.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Fluorobenzenes Aryl fluorides Carbamate esters Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbamic acid ester - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 211.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.101 Da
• Monoisotopic Mass: 211.101 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1