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161083-22-3 | Propanoic acid, 2-[(ethoxycarbonyl)imino]-3,3,3-trifluoro-, methyl ester
CAS No: 161083-22-3 Catalog No: AG001VMF MDL No:
Product Description
Catalog Number:
AG001VMF
Chemical Name:
Propanoic acid, 2-[(ethoxycarbonyl)imino]-3,3,3-trifluoro-, methyl ester
CAS Number:
161083-22-3
Molecular Formula:
C7H8F3NO4
Molecular Weight:
227.1379
IUPAC Name:
methyl 2-ethoxycarbonylimino-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C7H8F3NO4/c1-3-15-6(13)11-4(5(12)14-2)7(8,9)10/h3H2,1-2H3
InChI Key:
RJEMIPZJWKAIED-UHFFFAOYSA-N
SMILES:
CCOC(=O)N=C(C(F)(F)F)C(=O)OC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.139g/mol
Monoisotopic Mass:
227.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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