Basic information
- CAS
61338-48-5- Standard SMILES
O=c1c(-c2nn[nH]n2)c[nH]c2cc(Cl)ccc12- InChIKey
GEBFGPATQMVFAP-UHFFFAOYSA-N- Molecular formula
- C10H6ClN5O
- Average molar mass
- 247.64 g/mol
- Monoisotopic mass
- 247.0260875
Names & identifiers
- Preferred name
- 7-Chloro-3-(1,2-dihydro-5H-tetrazol-5-ylidene)quinolin-4(3H)-one
- IUPAC
- 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
Names & synonyms
61338-48-5DTXSID407069987-Chloro-3-(1,2-dihydro-5H-tetrazol-5-ylidene)quinolin-4(3H)-one
Database identifiers
- CAS
61338-48-5- PubChem CID
- 136136152
- DTXSID
DTXSID40706998
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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