Basic information
- CAS
65817-53-0- Standard SMILES
Nc1cccc2c1Cc1cc([N+](=O)[O-])ccc1-2- InChIKey
MDJSMOFUBKLREW-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.07422757
Names & identifiers
- Preferred name
- 1-Amino-7-nitrofluorene
- IUPAC
- 7-nitro-9H-fluoren-1-amine
- English name
- 1-AMINO-7-NITROFLUORENE
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
1-Amino-7-nitrofluorene7-Nitro-9H-fluoren-1-amineFLUOREN-1-AMINE, 7-NITRO-65817-53-0MLS002694906SMR001560821BRN 2738072cid_47726Fluorene, 1-amino-7-nitro-SCHEMBL8927954CHEMBL1891715BDBM91392
Show more names
1-Amino-7-nitro-9H-fluorene9H-Fluoren-1-amine, 7-nitro-
7-Nitro-9H-fluoren-1-amine #DTXSID80216006MDJSMOFUBKLREW-UHFFFAOYSA-N(7-nitro-9H-fluoren-1-yl)amineHMS3092I07NSC89251NSC 89251NSC-89251
Database identifiers
- CAS
65817-53-0- PubChem CID
- 47726
- DTXSID
DTXSID80216006- ChEMBL
CHEMBL1891715- Nikkaji
- J308.921E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 437.1 · 437.1±38.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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