272123-45-2
Product Name:
1-(4-Chlorophenyl)-5-[(triphenylphosphoranylidene)amino]-1H<br>-1,2,3-triazole-4-carboxylic acid ethyl ester
Formula:
C29H24ClN4O2P
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COMPUTED DESCRIPTORS
Molecular Weight | 527.0 g/mol |
---|---|
XLogP3 | 7.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 8 |
Exact Mass | 526.1325407 g/mol |
Monoisotopic Mass | 526.1325407 g/mol |
Topological Polar Surface Area | 69.4 Ų |
Heavy Atom Count | 37 |
Formal Charge | 0 |
Complexity | 735 |
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 |