Basic information
- Standard SMILES
O=C(O)c1ccc(-c2c([N+](=O)[O-])oc3c2ccc2ccccc23)cc1- InChIKey
NAXLKBWYTQMCHD-UHFFFAOYSA-N- Molecular formula
- C19H11NO5
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.06372245
Names & identifiers
- Preferred name
- 3-(4-Carboxyphenyl)-2-nitronaphtho-[1,2-b]furan
- IUPAC
- 4-(2-nitrobenzo[g][1]benzofuran-3-yl)benzoic acid
Names & synonyms
SCHEMBL11367728NAXLKBWYTQMCHD-UHFFFAOYSA-N3-(4-carboxyphenyl)-2-nitronaphtho-[1,2-b]furan
Database identifiers
- PubChem CID
- 12940498
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Related reactions
6 records
Compound notes
Loading…