72455-85-7
Product Name:
1H-Indole-2-carboxylic acid, 7-bromo-3-formyl-5-methyl-, ethyl ester
Formula:
C13H12BrNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 310.14 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 309.00006 g/mol |
| Monoisotopic Mass | 309.00006 g/mol |
| Topological Polar Surface Area | 59.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 336 |
| 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 |