Basic information
- CAS
6630-78-0- Standard SMILES
O=[N+]([O-])c1cccc(C2c3ccccc3Oc3ccccc32)c1- InChIKey
JJZRAPGOLFQAHN-UHFFFAOYSA-N- Molecular formula
- C19H13NO3
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.08954328
Names & identifiers
- Preferred name
- 9-(3-Nitrophenyl)-9h-xanthene
- IUPAC
- 9-(3-nitrophenyl)-9H-xanthene
Names & synonyms
6630-78-09-(3-nitrophenyl)-9h-xantheneNSC55803NCIOpen2_007379DTXSID60288423JJZRAPGOLFQAHN-UHFFFAOYSA-NNSC-55803
Database identifiers
- CAS
6630-78-0- PubChem CID
- 244705
- DTXSID
DTXSID60288423
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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