1,4-Dichloro-5-nitroanthraquinone
Basic information
- CAS
3223-90-3- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c(Cl)ccc(Cl)c21- InChIKey
MXBSQEXFJJQOCG-UHFFFAOYSA-N- Molecular formula
- C14H5Cl2NO4
- Average molar mass
- 322.1 g/mol
- Monoisotopic mass
- 320.959563
Names & identifiers
- Preferred name
- 1,4-Dichloro-5-nitroanthraquinone
- IUPAC
- 1,4-dichloro-5-nitroanthracene-9,10-dione
- English name
- 1,4-dichloro-5-nitroanthraquinone
- Molecular formula
- C14H5Cl2NO4
- Molecular weight
- 322.1
Names & synonyms
1,4-Dichloro-5-nitroanthraquinone3223-90-31,4-dichloro-5-nitroanthracene-9,10-dioneEINECS 221-750-7SCHEMBL10786361DTXSID50185992MXBSQEXFJJQOCG-UHFFFAOYSA-NNS000292371,4-Dichloro-5-nitro-9,10-anthracenedione9,10-Anthracenedione, 1,4-dichloro-5-nitro-
Database identifiers
- CAS
3223-90-3- PubChem CID
- 76695
- DTXSID
DTXSID50185992- EC Number
- 221-750-7
- Nikkaji
- J262.329C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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