Basic information
- CAS
57543-84-7- Standard SMILES
O=[N+]([O-])C1=Cc2ccccc2OC1c1ccccc1- InChIKey
ULXCGRAUCRLSRG-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 3-Nitro-2-phenyl-2H-1-benzopyran
- IUPAC
- 3-nitro-2-phenyl-2H-chromene
- English name
- 2-Phenyl-3-nitro-2H-1-benzopyran
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
3-Nitro-2-phenyl-2H-1-benzopyranBRN 14308812H-1-BENZOPYRAN, 3-NITRO-2-PHENYL-DTXSID809731075-17-02-00345 (Beilstein Handbook Reference)RefChem:281277DTXCID8014005643-Nitro-2-phenyl-2H-chromene57543-84-72-Phenyl-3-nitro-2H-1-benzopyranMFCD001760292-phenyl-3-nitrochromene
Show more names
Oprea1_262842SCHEMBL18028256AKOS024281827AKOS025211811ST048885DB-314266AK-906/13555016
Database identifiers
- CAS
57543-84-7- PubChem CID
- 42450
- DTXSID
DTXSID80973107- Nikkaji
- J132.094G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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