AC1LDWZ9
methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
Also Known As: SR-01000529260-1|A2238/0094237|(E)-methyl 3-((3-chloro-4-fluorophenyl)amino)-2-cyano-4,4,4-trifluorobut-2-enoate|methyl (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-cyano-4,4,4-trifluorobut-2-enoate|METHYL (E)-3-(3-CHLORO-4-FLUOROANILINO)-2-CYANO-4,4,4-TRIFLUORO-2-BUTENOATE|methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate|(E)-3-(3-Chloro-4-fluoro-phenylamino)-2-cyano-4,4,4-trifluoro-but-2-enoic acid methyl ester
| Molecular Formula | C12H7ClF4N2O2 |
|---|---|
| Molecular Weight | 322.0132 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0132 |
| Monoisotopic Mass | 322.0132 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 356586-10-2 |
|---|---|
| SMILES | COC(=O)/C(=C(\C(F)(F)F)/NC1=CC(=C(C=C1)F)Cl)/C#N |
| InChIKey | RAYNIKPBKYEAGZ-JXMROGBWSA-N |
Product Overview
AC1LDWZ9 (CAS 356586-10-2), with molecular formula C12H7ClF4N2O2 and molecular weight 322.0132 g/mol. IUPAC: methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate.
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