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1260679-06-8 | 4-Piperidinecarboxylic acid, 3-(trifluoromethyl)-, methyl ester
CAS No: 1260679-06-8 Catalog No: AG000R2I MDL No:
Product Description
Catalog Number:
AG000R2I
Chemical Name:
4-Piperidinecarboxylic acid, 3-(trifluoromethyl)-, methyl ester
CAS Number:
1260679-06-8
Molecular Formula:
C8H12F3NO2
Molecular Weight:
211.1816
IUPAC Name:
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-ethylacetamide
InChI:
InChI=1S/C18H22N2O4S/c1-4-19-18(21)12-24-15-7-9-16(10-8-15)25(22,23)20-17-11-13(2)5-6-14(17)3/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChI Key:
XOIOQXJNDUCHCN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNCC1C(F)(F)F
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.13g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.444g/mol
Monoisotopic Mass:
362.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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