100991-90-0
Product Name:
1,3-Butanediol, 1-(p-fluorophenyl)-2-methyl-4,4,4-trifluoro-3-(trifluo romethyl)-, 3,4-dichlorocarbanilate
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COMPUTED DESCRIPTORS
Molecular Weight | 508.2 g/mol |
---|---|
XLogP3 | 6.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 6 |
Exact Mass | 507.0238958 g/mol |
Monoisotopic Mass | 507.0238958 g/mol |
Topological Polar Surface Area | 58.6 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 627 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |