Basic information
- CAS
34391-96-3- Standard SMILES
Nc1c(Oc2ccccc2)c(Cl)c(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
JYEYYBHLLCRINZ-UHFFFAOYSA-N- Molecular formula
- C20H12ClNO4
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.04548554
Names & identifiers
- Preferred name
- 1-Amino-3-chloro-4-hydroxy-2-phenoxyanthraquinone
- IUPAC
- 1-amino-3-chloro-4-hydroxy-2-phenoxyanthracene-9,10-dione
- English name
- 1-amino-3-chloro-4-hydroxy-2-phenoxyanthraquinone
- Molecular formula
- C20H12ClNO4
- Molecular weight
- 365.76658
Names & synonyms
34391-96-31-amino-3-chloro-4-hydroxy-2-phenoxyanthracene-9,10-dione1-Amino-3-chloro-4-hydroxy-2-phenoxyanthraquinoneEINECS 251-988-7F58P3X9DADDTXSID40187965JYEYYBHLLCRINZ-UHFFFAOYSA-N1-Amino-3-chloro-4-hydroxy-2-phenoxy-9,10-anthracenedioneNS000296541-Amino-3-chloro-4-hydroxy-2-phenoxyanthracenedione9,10-Anthracenedione, 1-amino-3-chloro-4-hydroxy-2-phenoxy-
Database identifiers
- CAS
34391-96-3- PubChem CID
- 118673
- DTXSID
DTXSID40187965- UNII
- F58P3X9DAD
- EC Number
- 251-988-7
- Nikkaji
- J250.874E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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