33628-07-8
Product Name:
2-(3-(5-Chloro-1-sulfo propyl-3-ethyl-6-trifluoromethyl-2-benzimidazolinylidene) propenyl)-5-chloro-3-ethyl-1-sulfopropyl-6-trifluoromethyl benzimidazolium hydroxide, inner salt, sodium salt
Formula:
C29H29Cl2F6N4NaO6S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 829.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 12 |
| Exact Mass | 828.1020458 g/mol |
| Monoisotopic Mass | 828.1020458 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1330 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |