7-Nitro-9H-fluorene-2-carbonitrile
Basic information
- CAS
39150-37-3- Standard SMILES
N#Cc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2- InChIKey
BWTATXXIHOYVKZ-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.0585775
Names & identifiers
- Preferred name
- 7-Nitro-9H-fluorene-2-carbonitrile
- IUPAC
- 7-nitro-9H-fluorene-2-carbonitrile
- English name
- 2-Cyano-7-nitrofluorene
- Molecular formula
- C14H8N2O2
- Molecular weight
- 236.23
Names & synonyms
7-Nitro-9H-fluorene-2-carbonitrile39150-37-39H-FLUORENE-2-CARBONITRILE, 7-NITRO-2-Cyano-7-nitrofluoreneNSC 113320BRN 1981279NSC1133204-09-00-02593 (Beilstein Handbook Reference)CHEMBL167616DTXSID601923949H-fluorene-2-carbonitrile,7-nitro-NSC-113320
Show more names
DS-006165
Database identifiers
- CAS
39150-37-3- PubChem CID
- 38220
- DTXSID
DTXSID60192394- ChEMBL
CHEMBL167616
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 281 · 281-282 °C(Solv: chlorobenzene (108-90-7); pyridine (110-86-1))
- Boiling point
- 439 · 439.0±38.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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