125102-42-3
Product Name:
1H-Pyrrole-3-carboxylic acid, 4-(chloroacetyl)-2,5-dimethyl-, ethyl ester (9CI)
Formula:
C11H14ClNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 243.68 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 243.0662210 g/mol |
| Monoisotopic Mass | 243.0662210 g/mol |
| Topological Polar Surface Area | 59.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 282 |
| 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 |