Basic information
- CAS
50743-50-5- Standard SMILES
O=c1c(-c2nn[nH]n2)coc2ccc(Cl)cc12- InChIKey
WXVLUOKHJBDAHP-UHFFFAOYSA-N- Molecular formula
- C10H5ClN4O2
- Average molar mass
- 248.62 g/mol
- Monoisotopic mass
- 248.0101031
Names & identifiers
- Preferred name
- AK-198/09542006
- IUPAC
- 6-chloro-3-(2H-tetrazol-5-yl)chromen-4-one
- English name
- 6-Chloro-3-(1H-tetrazol-5-yl)-4H-chromen-4-one
- Molecular formula
- C10H5ClN4O2
- Molecular weight
- 248.63
Names & synonyms
50743-50-5AK-198/09542006DTXSID70358565RefChem:317886DTXCID403096206-CHLORO-3-(1H-TETRAZOL-5-YL)-4H-CHROMEN-4-ONE6-chloro-3-(1H-tetraazol-5-yl)-4H-chromen-4-one6-chloro-3-(1H-1,2,3,4-tetrazol-5-yl)-4H-chromen-4-one6-chloro-3-(2H-tetrazol-5-yl)chromen-4-oneHMS2737F21Oprea1_658704MLS000706576
Show more names
4H-1-Benzopyran-4-one, 6-chloro-3-(2H-tetrazol-5-yl)-
CHEMBL1710864SMR000226948DB-3594126-Chloro-3-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
50743-50-5- PubChem CID
- 902206
- DTXSID
DTXSID70358565- ChEMBL
CHEMBL1710864
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Solubility11.6 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers3 total
Dr. Jagath Reddy's Heterocyclics[email protected]
SPECS[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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