4H-1-Benzopyran-4-one, 6-bromo-2-(1-methyl-1H-1,2,3-triazol-4-yl)-
Basic information
- CAS
131924-45-3- Standard SMILES
Cn1cc(-c2cc(=O)c3cc(Br)ccc3o2)nn1- InChIKey
JJTLPCXFOKCMJK-UHFFFAOYSA-N- Molecular formula
- C12H8BrN3O2
- Average molar mass
- 306.11 g/mol
- Monoisotopic mass
- 304.97999
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-bromo-2-(1-methyl-1H-1,2,3-triazol-4-yl)-
- IUPAC
- 6-bromo-2-(1-methyltriazol-4-yl)chromen-4-one
Names & synonyms
BRN 41950144H-1-Benzopyran-4-one, 6-bromo-2-(1-methyl-1H-1,2,3-triazol-4-yl)-131924-45-36-Bromo-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-oneDTXSID30157258RefChem:297325DTXCID7079749
Database identifiers
- CAS
131924-45-3- PubChem CID
- 3076544
- DTXSID
DTXSID30157258
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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