4H-1-Benzopyran-4-one, 8-bromo-6-methyl-2-(1H-tetrazol-5-yl)-
Basic information
- CAS
38243-73-1- Standard SMILES
Cc1cc(Br)c2oc(-c3nn[nH]n3)cc(=O)c2c1- InChIKey
ZZKLEPZCFSNQQU-UHFFFAOYSA-N- Molecular formula
- C11H7BrN4O2
- Average molar mass
- 307.1 g/mol
- Monoisotopic mass
- 305.97524
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 8-bromo-6-methyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 8-bromo-6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
- English name
- 8-bromo-6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
- Molecular formula
- C11H7BrN4O2
- Molecular weight
- 0
Names & synonyms
38243-73-1BRN 10111484H-1-Benzopyran-4-one, 8-bromo-6-methyl-2-(1H-tetrazol-5-yl)-8-Bromo-6-methyl-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID20191641RefChem:297410DTXCID601141328-Bromo-6-methyl-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one8-bromo-6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Database identifiers
- CAS
38243-73-1- PubChem CID
- 217199
- DTXSID
DTXSID20191641
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
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Related reactions
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Compound notes
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