Basic information
- CAS
75041-88-2- Standard SMILES
Cn1c2ccc(Cl)cc2c2oc(-c3nn[nH]n3)cc(=O)c21- InChIKey
FXHJYMSEVQZZTE-UHFFFAOYSA-N- Molecular formula
- C13H8ClN5O2
- Average molar mass
- 301.69 g/mol
- Monoisotopic mass
- 301.0366522
Names & identifiers
- Preferred name
- Pyrano(3,2-b)indol-4(5H)-one, 8-chloro-5-methyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 8-chloro-5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one
Names & synonyms
75041-88-2Pyrano(3,2-b)indol-4(5H)-one, 8-chloro-5-methyl-2-(1H-tetrazol-5-yl)-NSC355276NSC 355276NSC-3552768-Chloro-5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4(5H)-onePyrano[3,2-b]indol-4(5H)-one, 8-chloro-5-methyl-2-(1H-tetrazol-5-yl)-FQR9SJK96FCHEMBL417102SCHEMBL11273764DTXSID902260108-chloro-5-methyl-2-(1H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one
Show more names
8-CHLORO-5-METHYL-2-(2H-1,2,3,4-TETRAZOL-5-YL)-4H,5H-PYRANO[3,2-B]INDOL-4-ONE
Database identifiers
- CAS
75041-88-2- PubChem CID
- 337410
- DTXSID
DTXSID90226010- ChEMBL
CHEMBL417102- UNII
- FQR9SJK96F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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