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142274-37-1 | Acetic acid, 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-, methyl ester
CAS No: 142274-37-1 Catalog No: AG001I3M MDL No:MFCD00107950
Product Description
Catalog Number:
AG001I3M
Chemical Name:
Acetic acid, 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-, methyl ester
CAS Number:
142274-37-1
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
MDL Number:
MFCD00107950
IUPAC Name:
methyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetate
InChI:
InChI=1S/C9H8F3NO4S/c1-17-8(14)5-18(15,16)7-3-2-6(4-13-7)9(10,11)12/h2-4H,5H2,1H3
InChI Key:
PCBZIMCRNCIBHJ-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.221g/mol
Monoisotopic Mass:
283.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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