4-Methyl-3-nitro-2H-1-benzopyran-2-one
Basic information
- CAS
28448-05-7- Standard SMILES
Cc1c([N+](=O)[O-])c(=O)oc2ccccc12- InChIKey
FJBXZCDZDUXUBG-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 4-Methyl-3-nitro-2H-1-benzopyran-2-one
- IUPAC
- 4-methyl-3-nitrochromen-2-one
Names & synonyms
4-Methyl-3-nitro-2H-1-benzopyran-2-one28448-05-7CHEMBL270030DTXSID401282851
Database identifiers
- CAS
28448-05-7- PubChem CID
- 44456597
- DTXSID
DTXSID401282851- ChEMBL
CHEMBL270030- Nikkaji
- J1.149.332G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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