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1053660-04-0 | Methyl {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetate
CAS No: 1053660-04-0 Catalog No: AG01F85F MDL No:
Product Description
Catalog Number:
AG01F85F
Chemical Name:
Methyl {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetate
CAS Number:
1053660-04-0
Molecular Formula:
C9H8F3NO2S
Molecular Weight:
251.2255
IUPAC Name:
methyl 2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
InChI:
InChI=1S/C9H8F3NO2S/c1-15-7(14)5-16-8-6(9(10,11)12)3-2-4-13-8/h2-4H,5H2,1H3
InChI Key:
BJUVWOFMDQZRRW-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ncccc1C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.223g/mol
Monoisotopic Mass:
251.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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