1164512-67-7
Product Name:
ETHYL 3-CYANO-4-(4-FLUOROANILINO)-2-OXO-3-BUTENOATE
Formula:
C13H11FN2O3
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COMPUTED DESCRIPTORS
Molecular Weight | 262.24 g/mol |
---|---|
XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Exact Mass | 262.07537038 g/mol |
Monoisotopic Mass | 262.07537038 g/mol |
Topological Polar Surface Area | 79.2 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 417 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |