Basic information
- CAS
72953-52-7- Standard SMILES
Nc1c(OCCOc2ccccc2Br)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
VEWQTMPECVHJAI-UHFFFAOYSA-N- Molecular formula
- C22H16BrNO5
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.02119
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-2-(2-(bromophenoxy)ethoxy)-4-hydroxy-
- IUPAC
- 1-amino-2-[2-(2-bromophenoxy)ethoxy]-4-hydroxyanthracene-9,10-dione
Names & synonyms
EINECS 277-121-29,10-Anthracenedione, 1-amino-2-(2-(bromophenoxy)ethoxy)-4-hydroxy-9,10-Anthracenedione, 1-amino-2-[2-(bromophenoxy)ethoxy]-4-hydroxy-RefChem:54864672953-52-71-Amino-2-(2-(2-bromophenoxy)ethoxy)-4-hydroxyanthracene-9,10-dione1-amino-2-[2-(2-bromophenoxy)ethoxy]-4-hydroxyanthracene-9,10-dione1-Amino-2-(2-(bromophenoxy)ethoxy)-4-hydroxyanthraquinoneVEWQTMPECVHJAI-UHFFFAOYSA-NNS00060587
Database identifiers
- CAS
72953-52-7- PubChem CID
- 175339
- EC Number
- 277-121-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 616
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-2-[2-(bromophenoxy)ethoxy]-4-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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