2-Phenyltetrazole-5-carbonitrile
Basic information
- CAS
78984-92-6- Standard SMILES
N#Cc1nnn(-c2ccccc2)n1- InChIKey
HCMVWOFRTNUXLQ-UHFFFAOYSA-N- Molecular formula
- C8H5N5
- Average molar mass
- 171.16 g/mol
- Monoisotopic mass
- 171.05449518
Names & identifiers
- Preferred name
- 2-Phenyltetrazole-5-carbonitrile
- IUPAC
- 2-phenyltetrazole-5-carbonitrile
Names & synonyms
2-phenyltetrazole-5-carbonitrile78984-92-6DTXSID90301215RefChem:265414DTXCID402523492-phenyl-2h-tetrazole-5-carbonitrileNSC1418502-phenyl-5-cyanotetrazoleSCHEMBL4407197NSC-141850DS-004367
Database identifiers
- CAS
78984-92-6- PubChem CID
- 285117
- DTXSID
DTXSID90301215- Nikkaji
- J361.113B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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