Basic information
- Standard SMILES
O=S(=O)(Oc1ccc(-c2ccc(CC3N=NN=N3)cc2)cc1)C(F)(F)F- InChIKey
UHBKXAAHLDKHDH-UHFFFAOYSA-N- Molecular formula
- C15H11F3N4O3S
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 384.05039589
Names & identifiers
- Preferred name
- trifluoro-methanesulfonic acid 4'-(5H-tetrazol-5-ylmethyl)-biphenyl-4-yl ester
- IUPAC
- [4-[4-(5H-tetrazol-5-ylmethyl)phenyl]phenyl] trifluoromethanesulfonate
Names & synonyms
trifluoro-methanesulfonic acid 4'-(5H-tetrazol-5-ylmethyl)-biphenyl-4-yl esterSCHEMBL4948183
Database identifiers
- PubChem CID
- 87753496
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 620
Related reactions
1 records
Compound notes
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