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2-Isopropoxy-6-(trifluoromethyl)pyridine - 96%, high purity , CAS No.1255574-41-4
Basic Description
Synonyms
2-ISOPROPOXY-6-(TRIFLUOROMETHYL)PYRIDINE | 1255574-41-4 | 2-propan-2-yloxy-6-(trifluoromethyl)pyridine | SCHEMBL13019935 | DTXSID60682462 | HOZWPCFCUHYPBH-UHFFFAOYSA-N | MFCD17214296 | AKOS015838535 | BS-19683 | 2-[(Propan-2-yl)oxy]-6-(trifluoromethyl)pyridine | Pyridine, 2-
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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
IUPAC Name
2-propan-2-yloxy-6-(trifluoromethyl)pyridine
INCHI
InChI=1S/C9H10F3NO/c1-6(2)14-8-5-3-4-7(13-8)9(10,11)12/h3-6H,1-2H3
InChIKey
HOZWPCFCUHYPBH-UHFFFAOYSA-N
Smiles
CC(C)OC1=CC=CC(=N1)C(F)(F)F
Isomeric SMILES
CC(C)OC1=CC=CC(=N1)C(F)(F)F
Molecular Weight
205.2
Reaxy-Rn
49702015
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49702015&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.180 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
205.071 Da
Monoisotopic Mass
205.071 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
181.000
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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