4H-1-Benzopyran-4-one, 2-(2-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-
Basic information
- CAS
131924-51-1- Standard SMILES
Cn1ncc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3o2)n1- InChIKey
DDYCMSYNMLZSRP-UHFFFAOYSA-N- Molecular formula
- C12H8N4O4
- Average molar mass
- 272.22 g/mol
- Monoisotopic mass
- 272.05455475
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(2-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-
- IUPAC
- 2-(2-methyltriazol-4-yl)-6-nitrochromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 2-(2-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-
- Molecular formula
- C12H8N4O4
- Molecular weight
- 272.22
Names & synonyms
131924-51-1BRN 42015474H-1-Benzopyran-4-one, 2-(2-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-DTXSID401572642-(2-Methyl-1H-1,2,3-triazol-4-yl)-6-nitro-4H-1-benzopyran-4-oneRefChem:297241DTXCID10797552-(2-methyltriazol-4-yl)-6-nitrochromen-4-one2-(2-Methyl-2H-1,2,3-triazol-4-yl)-6-nitro-4H-chromen-4-one2-(2-Methyl-2H-1,2,3-triazol-4-yl)-6-nitro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(2-methyl-2H-1,2,3-triazol-4-yl)-6-nitro-
Database identifiers
- CAS
131924-51-1- PubChem CID
- 3076550
- DTXSID
DTXSID40157264
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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