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1245643-72-4 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-(trifluoromethyl)-, ethyl ester
CAS No: 1245643-72-4 Catalog No: AG000M9B MDL No:
Product Description
Catalog Number:
AG000M9B
Chemical Name:
1,2,4-Oxadiazole-5-carboxylic acid, 3-(trifluoromethyl)-, ethyl ester
CAS Number:
1245643-72-4
Molecular Formula:
C6H5F3N2O3
Molecular Weight:
210.1107
IUPAC Name:
ethyl 3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C6H5F3N2O3/c1-2-13-4(12)3-10-5(11-14-3)6(7,8)9/h2H2,1H3
InChI Key:
NTPSWYWOOBXDNT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.112g/mol
Monoisotopic Mass:
210.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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