72242-31-0
Product Name:
3-THIOPHENECARBOXYLIC ACID-5-METHYL-2-{2-(NITROPHENYL)AMINO}METHYL ESTER
Formula:
C13H12N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 292.31 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 292.05177804 g/mol |
| Monoisotopic Mass | 292.05177804 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 374 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |