Basic information
- Standard SMILES
CC(=O)O[C@H](C)c1nnn(-c2cccc(Cl)c2)n1- InChIKey
IFLLOJFVUJMOKG-SSDOTTSWSA-N- Molecular formula
- C11H11ClN4O2
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0570533
Names & identifiers
- Preferred name
- (1R)-1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl acetate
- IUPAC
- [(1R)-1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl] acetate
Names & synonyms
SCHEMBL2893766IFLLOJFVUJMOKG-SSDOTTSWSA-N(1R)-1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl acetate
Database identifiers
- PubChem CID
- 59424210
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
Loading…