1-Nitrocoronene
Basic information
- CAS
81316-84-9- Standard SMILES
O=[N+]([O-])c1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21- InChIKey
MIKASNJPHHKWQC-UHFFFAOYSA-N- Molecular formula
- C24H11NO2
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.07897859
Overview
RN given from first source; RN not in Chemline 2/7/84
Names & identifiers
- Preferred name
- 1-Nitrocoronene
- IUPAC
- 1-nitrocoronene
- English name
- 1-Nitrocoronene
- Molecular formula
- C24H11NO2
- Molecular weight
- 345.35
Names & synonyms
1-Nitrocoronene81316-84-9MononitrocoroneneDTXSID50231049RefChem:76587DTXCID00153540CORONENE, 1-NITRO-BRN 3450484nitrocoronene3-05-00-02652 (Beilstein Handbook Reference)CHEMBL167989SCHEMBL27441544
Show more names
1-nitro-coronen1-Nitrocoronene in toluene
SCHEMBL29547058MIKASNJPHHKWQC-UHFFFAOYSA-N
Database identifiers
- CAS
81316-84-9- PubChem CID
- 54732
- DTXSID
DTXSID50231049- ChEMBL
CHEMBL167989- Nikkaji
- J118.415F
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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