79980-91-9
Product Name:
BENZENEACETIC ACID, 4-CHLORO-A-(1-METHYLETHYL)-, CYANO(4-PHENOXYPHENYL)METHYL ESTER, (R*,S*)-
Formula:
C25H22ClNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 419.9 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 419.1288213 g/mol |
| Monoisotopic Mass | 419.1288213 g/mol |
| Topological Polar Surface Area | 59.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 578 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |