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2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyridine - 98%, high purity , CAS No.1033202-62-8
Discover 2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyridine by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(4-METHOXYBENZYLOXY)-5-(TRIFLUOROMETHYL)PYRIDINE | 1033202-62-8 | 2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)pyridine | SCHEMBL16838859 | DTXSID70674454 | MFCD10699714 | AKOS015852059 | BS-22750
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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
IUPAC Name
2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)pyridine
INCHI
InChI=1S/C14H12F3NO2/c1-19-12-5-2-10(3-6-12)9-20-13-7-4-11(8-18-13)14(15,16)17/h2-8H,9H2,1H3
InChIKey
ACZASXZHQDCDLJ-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)COC2=NC=C(C=C2)C(F)(F)F
Isomeric SMILES
COC1=CC=C(C=C1)COC2=NC=C(C=C2)C(F)(F)F
PubChem CID
46738803
Molecular Weight
283.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
283.240 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
283.082 Da
Monoisotopic Mass
283.082 Da
Topological Polar Surface Area
31.400 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
291.000
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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