948007-65-6
Product Name:
1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-fluorophenyl)-5-methyl-
Formula:
C10H8FN3O2
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COMPUTED DESCRIPTORS
Molecular Weight | 221.19 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 221.06005467 g/mol |
Monoisotopic Mass | 221.06005467 g/mol |
Topological Polar Surface Area | 68 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 277 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |