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1810715-04-8 | 2-Pyridineacetic acid, 5-(trifluoromethyl)-, methyl ester
CAS No: 1810715-04-8 Catalog No: AG0022ND MDL No:
Product Description
Catalog Number:
AG0022ND
Chemical Name:
2-Pyridineacetic acid, 5-(trifluoromethyl)-, methyl ester
CAS Number:
1810715-04-8
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
IUPAC Name:
methyl 2-[5-(trifluoromethyl)pyridin-2-yl]acetate
InChI:
InChI=1S/C9H8F3NO2/c1-15-8(14)4-7-3-2-6(5-13-7)9(10,11)12/h2-3,5H,4H2,1H3
InChI Key:
NRNPXRRCVOQOMJ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cn1)C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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