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136483-17-5 | 3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
CAS No: 136483-17-5 Catalog No: AG0011W2 MDL No:MFCD12828079
Product Description
Catalog Number:
AG0011W2
Chemical Name:
3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
CAS Number:
136483-17-5
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD12828079
IUPAC Name:
methyl 2-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H6F3NO2/c1-14-7(13)5-3-2-4-12-6(5)8(9,10)11/h2-4H,1H3
InChI Key:
GQUJMULWAYDZIW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccnc1C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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