Basic information
- CAS
80191-45-3- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)c2cc3ccccc3cc12- InChIKey
OYHLQEAYKHKPPM-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- Anthracene, dimethylnitro-
- IUPAC
- 1,4-dimethyl-2-nitroanthracene
Names & synonyms
80191-45-3Anthracene, dimethylnitro-1,4-dimethyl-2-nitroanthraceneDTXSID001001093
Database identifiers
- CAS
80191-45-3- PubChem CID
- 54545
- DTXSID
DTXSID001001093
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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