7-[4-(Trifluoromethyl)coumarin]methacrylamide - ≥98% , CAS No.480438-95-7

CAS: 480438-95-7 Cat. No.: T472471 Molecular Weight: 297.23 EC Number: 687-313-1 PubChem CID: 3425470

GRADE & PURITY ≥98%

Synonyms

UDIRYDKCHVDUQV-UHFFFAOYSA-N | 7-(4-Trifluoromethyl)coumarin methacry& | 7-[4-(Trifluoromethyl)coumarin]methacrylamide, 98% | DTXSID40392370 | 7-[4-(Trifluoromethyl)coumarin]methacrylamide | 2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

Fluorescent monomer

Specifications

Synonyms

UDIRYDKCHVDUQV-UHFFFAOYSA-N | 7-(4-Trifluoromethyl)coumarin methacry& | 7-[4-(Trifluoromethyl)coumarin]methacrylamide, 98% | DTXSID40392370 | 7-[4-(Trifluoromethyl)coumarin]methacrylamide | 2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide

Specifications & Purity

≥98%

Storage

Store at 2-8°C

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(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
• IUPAC Name: 2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
• InChIKey: UDIRYDKCHVDUQV-UHFFFAOYSA-N
• INCHI: 1S/C14H10F3NO3/c1-7(2)13(20)18-8-3-4-9-10(14(15,16)17)6-12(19)21-11(9)5-8/h3-6H,1H2,2H3,(H,18,20)
• Isomeric SMILES: CC(=C)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 3425470
• Molecular Weight: 297.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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: 297.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 297.061 Da
• Monoisotopic Mass: 297.061 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 510.000
• 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