Basic information
- Standard SMILES
COc1ccc(Cn2nnc(C(=O)Cl)n2)cc1- InChIKey
IDSZQQQVKUTSPK-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4O2
- Average molar mass
- 252.66 g/mol
- Monoisotopic mass
- 252.0414032
Names & identifiers
- Preferred name
- 2-(4-Methoxy-benzyl)-2H-tetrazole-5-carbonyl chloride
- IUPAC
- 2-[(4-methoxyphenyl)methyl]tetrazole-5-carbonyl chloride
Names & synonyms
100245-19-02-(4-Methoxy-benzyl)-2H-tetrazole-5-carbonyl chloride2-[(4-methoxyphenyl)methyl]tetrazole-5-carbonylchlorideSCHEMBL1912649IDSZQQQVKUTSPK-UHFFFAOYSA-NDB-329351
Database identifiers
- PubChem CID
- 59607732
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
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
5 records
Compound notes
Loading…