Basic information
- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1cccc(Cl)c1C2=O- InChIKey
QAZNDGDSNIGKLU-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO3
- Average molar mass
- 273.67 g/mol
- Monoisotopic mass
- 273.0192708
Names & identifiers
- Preferred name
- 1-Amino-5-chloro-4-hydroxyanthraquinone
- IUPAC
- 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione
- English name
- 1-amino-5-chloro-4-hydroxyanthraquinone
- Molecular formula
- C14H8ClNO3
- Molecular weight
- 273.67
Names & synonyms
116-84-71-Amino-5-chloro-4-hydroxyanthraquinone1-amino-5-chloro-4-hydroxyanthracene-9,10-dione9,10-Anthracenedione, 1-amino-5-chloro-4-hydroxy-EINECS 204-162-5BRN 27501411-Amino-4-hydroxy-5-chloranthrachinon [Czech]1-Amino-4-hydroxy-5-chloranthrachinon5ZA6XMA9RD4-14-00-00896 (Beilstein Handbook Reference)ANTHRAQUINONE, 1-AMINO-5-CHLORO-4-HYDROXY-SCHEMBL9162793
Show more names
DTXSID00151263QAZNDGDSNIGKLU-UHFFFAOYSA-NNS000237661-Amino-5-chloro-4-hydroxy-9,10-anthracenedione
Database identifiers
- CAS
116-84-7- PubChem CID
- 8322
- DTXSID
DTXSID00151263- UNII
- 5ZA6XMA9RD
- EC Number
- 204-162-5
- Nikkaji
- J55.268B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 252 · 252-255 °C
- Boiling point
- 562.9 · 562.9±50.0 °C(Predicted)
- Density
- 1.3138 · 1.3138 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- pka
- 6.59 · 6.59±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
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Linked notes
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