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ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate - 97%, high purity , CAS No.1192155-06-8
Discover ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate by Aladdin Scientific in 97% for only $87.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate | 1192155-06-8 | 3-Pyridazinecarboxylic acid, 6-(trifluoromethyl)-, ethyl ester | SCHEMBL1111621 | AMY6562 | DTXSID60681011 | MFCD18072597 | AKOS016000512 | AS-52677 | CS-0049430 | FT-0762166 | P15485 | ethyl 6-(trifluoromethyl)-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridazines and derivatives
Alternative Parents
Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridazine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
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
ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate
INCHI
InChI=1S/C8H7F3N2O2/c1-2-15-7(14)5-3-4-6(13-12-5)8(9,10)11/h3-4H,2H2,1H3
InChIKey
BLOPWFFYYJNVNZ-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=NN=C(C=C1)C(F)(F)F
Isomeric SMILES
CCOC(=O)C1=NN=C(C=C1)C(F)(F)F
Molecular Weight
220.1486
Reaxy-Rn
29254883
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29254883&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
220.150 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
220.046 Da
Monoisotopic Mass
220.046 Da
Topological Polar Surface Area
52.100 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
232.000
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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