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2-(trifluoromethoxy)benzamide - 98%, high purity , CAS No.127979-74-2
Basic Description
Synonyms
2-(Trifluoromethoxy)benzamide | 127979-74-2 | benzamide, 2-(trifluoromethoxy)- | Benzamide,2-(trifluoromethoxy)- | 2-trifluoromethoxybenzamide | SCHEMBL351860 | 2-(trifluoromethyloxy)benzamide | DTXSID90380409 | MFCD00042407 | AKOS015853001 | JS-4217 | SB76770 | 2-(Trifluorometh
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Fluoromethoxy benzamides
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Trihalomethanes Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fluoromethoxy benzamide - Benzoyl - Phenoxy compound - Phenol ether - Carboxamide group - Primary carboxylic acid amide - Trihalomethane - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Halomethane - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluoromethoxy benzamides. These are organic compounds containing a benzamide, which is substituted by a fluoromethoxy group.
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.
Names and Identifiers
Pubchem Sid
488193727
IUPAC Name
2-(trifluoromethoxy)benzamide
INCHI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChIKey
XXTXDVUAHROLBN-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)N)OC(F)(F)F
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)N)OC(F)(F)F
PubChem CID
2777202
Molecular Weight
205.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
153-155°C
Molecular Weight
205.130 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
205.035 Da
Monoisotopic Mass
205.035 Da
Topological Polar Surface Area
52.300 Ų
Heavy Atom Count
14
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
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L2202407