5-Bromo-6-nitro-1,2-dihydroacenaphthylene
Basic information
- CAS
4889-63-8- Standard SMILES
O=[N+]([O-])c1ccc2c3c(ccc(Br)c13)CC2- InChIKey
RGJQVHVUFZWQGQ-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO2
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 276.97384
Names & identifiers
- Preferred name
- 5-Bromo-6-nitro-1,2-dihydroacenaphthylene
- IUPAC
- 5-bromo-6-nitro-1,2-dihydroacenaphthylene
- English name
- Acenaphthylene,5-bromo-1,2-dihydro-6-nitro-
- Molecular formula
- C12H8BrNO2
- Molecular weight
- 278.1
Names & synonyms
5-bromo-6-nitro-1,2-dihydroacenaphthylene4889-63-8Acenaphthylene,5-bromo-1,2-dihydro-6-nitro-NSC 1374255-Bromo-1,2-dihydro-6-nitroacenaphthyleneNSC137425DTXSID20300514CCG-47355MFCD00266665NSC-137425SY291987DS-009482
Show more names
5-bromo-6-nitro-acenaphthene
H81911SR-01000636975-1
Database identifiers
- CAS
4889-63-8- PubChem CID
- 283127
- DTXSID
DTXSID20300514- Nikkaji
- J2.382.639I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 160 · 160-161 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 417.4 · 417.4±45.0 °C(Predicted)
- Density
- 1.706 · 1.706±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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