Basic information
- CAS
1110-83-4- Standard SMILES
Cc1cccc2ccc3ccc4cccc(C)c4c3c12.O=C1c2cc([N+](=O)[O-])cc(Br)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]- InChIKey
YRRZAADYAJAKCY-UHFFFAOYSA-N- Molecular formula
- C33H20BrN3O7
- Average molar mass
- 650.4 g/mol
- Monoisotopic mass
- 649.04846
Names & identifiers
- Preferred name
- 4-Bromo-2,5,7-trinitrofluoren-9-one;1,12-dimethylbenzo[c]phenanthrene
- IUPAC
- 4-bromo-2,5,7-trinitrofluoren-9-one;1,12-dimethylbenzo[c]phenanthrene
Names & synonyms
1110-83-4NSC171592DTXSID00305749NSC-1715924-Bromo-2,5,7-trinitro-9H-fluoren-9-one--1,12-dimethylbenzo[c]phenanthrene (1/1)
Database identifiers
- CAS
1110-83-4- PubChem CID
- 299124
- DTXSID
DTXSID00305749
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 912
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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