886766-90-1
Product Name:
Benzoic acid, 5-[[[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene]amino]-2-chloro-
Formula:
C18H12BrClN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.7 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 401.97707 g/mol |
| Monoisotopic Mass | 401.97707 g/mol |
| Topological Polar Surface Area | 54.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 468 |
| 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 |