1-Methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene;1,3,5-trinitrobenzene
Basic information
- CAS
7497-75-8- Standard SMILES
Cc1ccc(C2=CC=C(c3ccccc3)C2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
NKJJWAMUPVHXSV-UHFFFAOYSA-N- Molecular formula
- C24H19N3O6
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.12738533
Names & identifiers
- Preferred name
- 1-Methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene;1,3,5-trinitrobenzene
- IUPAC
- 1-methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene;1,3,5-trinitrobenzene
Names & synonyms
7497-75-8NSC406814DTXSID00324470NSC-4068141-Methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
7497-75-8- PubChem CID
- 347900
- DTXSID
DTXSID00324470
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 562
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Related reactions
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Compound notes
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