Basic information
- CAS
712297-67-1- Standard SMILES
Cc1ccc(-n2nnnc2-c2c[nH]c3c(F)cc(F)cc23)cc1- InChIKey
DMQIZAUSTNXGIT-UHFFFAOYSA-N- Molecular formula
- C16H11F2N5
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0982517
Names & identifiers
- Preferred name
- 5,7-Difluoro-3-(1-p-tolyl-1H-tetrazol-5-yl)-1H-indole
- IUPAC
- 5,7-difluoro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
- English name
- 5,7-difluoro-3-[1-(4-methylphenyl)-1H-tetraazol-5-yl]-1H-indole
- Molecular formula
- C16H11F2N5
- Molecular weight
- 311.2888464
Names & synonyms
5,7-Difluoro-3-(1-p-tolyl-1H-tetrazol-5-yl)-1H-indoleNSC732131AKOS024383296NSC-732131ST51032600AG-401/425043175,7-difluoro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole5,7-difluoro-3-[1-(4-methylphenyl)-1H-tetraazol-5-yl]-1H-indole5-(5,7-difluoroindol-3-yl)-1-(4-methylphenyl)-1,2,3,4-tetraazole
Database identifiers
- CAS
712297-67-1- PubChem CID
- 822952
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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