Basic information
- CAS
1228-87-1- Standard SMILES
COC(=O)c1cccc2c1c([N+](=O)[O-])cc1ccccc12- InChIKey
OCBJTPWQFZBWKQ-UHFFFAOYSA-N- Molecular formula
- C16H11NO4
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.06880783
Names & identifiers
- Preferred name
- Methyl 10-nitrophenanthrene-1-carboxylate
- IUPAC
- methyl 10-nitrophenanthrene-1-carboxylate
Names & synonyms
NSC898351228-87-1methyl 10-nitrophenanthrene-1-carboxylateDTXSID50293485NSC-89835
Database identifiers
- CAS
1228-87-1- PubChem CID
- 259684
- DTXSID
DTXSID50293485
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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