Basic information
- CAS
57543-88-1- Standard SMILES
COc1ccc2c(c1)C=C([N+](=O)[O-])C(c1ccccc1)O2- InChIKey
BYTMTVAVPIPXIT-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 6-Methoxy-3-nitro-2-phenyl-2H-1-benzopyran
- IUPAC
- 6-methoxy-3-nitro-2-phenyl-2H-chromene
- English name
- 6-Methoxy-3-nitro-2-phenyl-2H-1-benzopyran
- Molecular formula
- C16H13NO4
- Molecular weight
- 283.28
Names & synonyms
6-Methoxy-3-nitro-2-phenyl-2H-1-benzopyran57543-88-1BRN 13899202H-1-BENZOPYRAN, 6-METHOXY-3-NITRO-2-PHENYL-SCHEMBL31561660DTXSID70973111DB-296601
Database identifiers
- CAS
57543-88-1- PubChem CID
- 42454
- DTXSID
DTXSID70973111- Nikkaji
- J132.092K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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