1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione
Basic information
- CAS
54292-07-8- Standard SMILES
Cc1c(C)c([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
YHEAZSDRUOKHIW-UHFFFAOYSA-N- Molecular formula
- C16H12N2O4
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.07970687
Names & identifiers
- Preferred name
- 1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione
- IUPAC
- 1-amino-2,3-dimethyl-4-nitroanthracene-9,10-dione
Names & synonyms
1-amino-2,3-dimethyl-4-nitroanthracene-9,10-dione54292-07-8NSC627541CHEMBL1996633DTXSID10405062NSC-627541NCI60_0087791-Amino-2,3-dimethyl-4-nitroanthra-9,10-quinone1-amino-2,3-dimethyl-4-nitro-anthracene-9,10-dione
Database identifiers
- CAS
54292-07-8- PubChem CID
- 4637536
- DTXSID
DTXSID10405062- ChEMBL
CHEMBL1996633
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
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Compound notes
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