516465-80-8
Product Name:
4-BROMO-PYRROLE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-ETHYL ESTER
Formula:
C12H16BrNO4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 318.16 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 317.02627 g/mol |
| Monoisotopic Mass | 317.02627 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 327 |
| 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 |