Basic information
- CAS
72570-99-1- Standard SMILES
CC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2- InChIKey
SKWHFLFJZQKVIV-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- N-(7-Nitro-9H-fluoren-2-yl)acetamide
- IUPAC
- N-(7-nitro-9H-fluoren-2-yl)acetamide
- English name
- 2-ACETAMIDO-7-NITROFLUORENE
- Molecular formula
- C15H12N2O3
- Molecular weight
- 268.27
Names & synonyms
N-(7-Nitro-9H-fluoren-2-yl)acetamide72570-99-12-Acetamido-7-nitrofluorene2-Acetylamino-7-nitrofluoreneBRN 2750677ACETAMIDE, N-(7-NITRO-9H-FLUOREN-2-YL)-3-12-00-03296 (Beilstein Handbook Reference)CHEMBL167272DTXSID908714632-acetamido-7-nitrofluorene monohydrate
Database identifiers
- CAS
72570-99-1- PubChem CID
- 51622
- DTXSID
DTXSID90871463- ChEMBL
CHEMBL167272- Nikkaji
- J635.441F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
LogP3.08
Physicochemical properties
- Melting point
- 261 · 261-264 °C
- Boiling point
- 535.6 · 535.6±43.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 14.59 · 14.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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