3,4,5,6-Tetramethylphenanthrene; 1,3,5-trinitrobenzene
Basic information
- CAS
7343-10-4- Standard SMILES
Cc1ccc2ccc3ccc(C)c(C)c3c2c1C.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
YUDWZBJECZGLCB-UHFFFAOYSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.1430354
Names & identifiers
- Preferred name
- 3,4,5,6-Tetramethylphenanthrene; 1,3,5-trinitrobenzene
- IUPAC
- 3,4,5,6-tetramethylphenanthrene;1,3,5-trinitrobenzene
Names & synonyms
7343-10-4NSC1716013,4,5,6-tetramethylphenanthrene; 1,3,5-trinitrobenzeneDTXSID30305752NSC-1716013,4,5,6-Tetramethylphenanthrene--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
7343-10-4- PubChem CID
- 299134
- DTXSID
DTXSID30305752
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 494
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