1-(2-Phenyltetrazol-5-yl)ethanone
Basic information
- CAS
78984-93-7- Standard SMILES
CC(=O)c1nnn(-c2ccccc2)n1- InChIKey
BELYVCVZCKOIGD-UHFFFAOYSA-N- Molecular formula
- C9H8N4O
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.06981089
Names & identifiers
- Preferred name
- 1-(2-Phenyltetrazol-5-yl)ethanone
- IUPAC
- 1-(2-phenyltetrazol-5-yl)ethanone
- English name
- 1-(2-phenyltetrazol-5-yl)ethanone
- Molecular formula
- C9H8N4O
- Molecular weight
- 0
Names & synonyms
78984-93-71-(2-phenyltetrazol-5-yl)ethanoneNSC43558DTXSID40286043NSC-435581-(2-Phenyl-2H-tetrazol-5-yl)ethan-1-one
Database identifiers
- CAS
78984-93-7- PubChem CID
- 238940
- DTXSID
DTXSID40286043
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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