Basic information
- CAS
117-09-9- Standard SMILES
Nc1cccc2c1C(=O)c1c(Cl)cccc1C2=O- InChIKey
JMNNJCADZZBEOW-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.02435618
Names & identifiers
- Preferred name
- 1-Amino-8-chloroanthraquinone
- IUPAC
- 1-amino-8-chloroanthracene-9,10-dione
- English name
- 1-amino-8-chloro-9,10-anthraquinone
- Molecular formula
- C14H8ClNO2
- Molecular weight
- 257.67
Names & synonyms
1-Amino-8-chloroanthraquinone117-09-9DTXSID20279170RefChem:227544DTXCID002303251-amino-8-chloroanthracene-9,10-dione9, 1-amino-8-chloro-Anthraquinone, 1-amino-8-chloro-NSC310239,10-Anthracenedione,1-amino-8-chloro-SCHEMBL7532387JMNNJCADZZBEOW-UHFFFAOYSA-N
Show more names
1-amino-8-chloro-9,10-anthraquinone9,10-Anthracenedione, 1-amino-8-chloro-1-azanyl-8-chloro-anthracene-9,10-dione
NSC11480NSC-11480NSC-31023DS-009332
Database identifiers
- CAS
117-09-9- PubChem CID
- 223669
- DTXSID
DTXSID20279170- Nikkaji
- J490.281E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Melting point
- 227 · 227-228 °C
- Boiling point
- 500.9 · 500.9±50.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- pka
- -1.77 · -1.77±0.20(Predicted)
Related reactions
3 records
Compound notes
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