63815-74-7
Product Name:
2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT
Formula:
C37H28F6N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 706.6 g/mol |
|---|---|
| XLogP3 | 8.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 706.20147436 g/mol |
| Monoisotopic Mass | 706.20147436 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1300 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |