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124236-38-0 | 3-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS No: 124236-38-0 Catalog No: AG000LRB MDL No:
Product Description
Catalog Number:
AG000LRB
Chemical Name:
3-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS Number:
124236-38-0
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
IUPAC Name:
methyl 5-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11/h2-4H,1H3
InChI Key:
PVCBBYUBDLIXJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)C(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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