5-(Iodomethyl)-1-phenyl-1H-tetrazole
Basic information
- CAS
64473-41-2- Standard SMILES
ICc1nnnn1-c1ccccc1- InChIKey
KSBQIYSYCWQWPM-UHFFFAOYSA-N- Molecular formula
- C8H7IN4
- Average molar mass
- 286.07 g/mol
- Monoisotopic mass
- 285.97154
Names & identifiers
- Preferred name
- 5-(Iodomethyl)-1-phenyl-1H-tetrazole
- IUPAC
- 5-(iodomethyl)-1-phenyltetrazole
Names & synonyms
5-(Iodomethyl)-1-phenyl-1H-tetrazole64473-41-2DTXSID60494542AKOS014117597
Database identifiers
- CAS
64473-41-2- PubChem CID
- 12366807
- DTXSID
DTXSID60494542
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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