92771-38-5
Product Name:
5-CHLORO-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2(3H)- BENZOXAZOLYLIDENE)METHYL]-1-BUTENYL)-3-(4-SULFOBUTYL)-BENZOXAZOLIUM HYDROXIDE, INNER SALT TRIETHYLAMIN E SALT
Formula:
C33H45Cl2N3O8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 746.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 15 |
| Exact Mass | 745.2025131 g/mol |
| Monoisotopic Mass | 745.2025131 g/mol |
| Topological Polar Surface Area | 161 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1170 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |