Basic information
- CAS
3300-23-0- Standard SMILES
Nc1c(Br)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
MVRDXWVWKOUPDO-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO2
- Average molar mass
- 302.12 g/mol
- Monoisotopic mass
- 300.9738406
Names & identifiers
- Preferred name
- 1-Amino-2-bromoanthraquinone
- IUPAC
- 1-amino-2-bromoanthracene-9,10-dione
- English name
- 1-amino-2-bromoanthracene-9,10-dione
- Molecular formula
- C14H8BrNO2
- Molecular weight
- 302.12
Names & synonyms
1-Amino-2-bromoanthraquinone1-amino-2-bromoanthracene-9,10-dione3300-23-0Anthraquinone, 1-amino-2-bromo-NSC399249, 1-amino-2-bromo-2-Brom-1-aminoanthrachinonSCHEMBL8777968MVRDXWVWKOUPDO-UHFFFAOYSA-DTXSID80284947MVRDXWVWKOUPDO-UHFFFAOYSA-NNSC-39924
Show more names
1-amino-2-bromo-9,10-anthraquinone9,10-Anthracenedione, 1-amino-2-bromo-1-azanyl-2-bromo-anthracene-9,10-dione
InChI=1/C14H8BrNO2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
Database identifiers
- CAS
3300-23-0- PubChem CID
- 236895
- DTXSID
DTXSID80284947- Nikkaji
- J31.583D
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
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
2 records
Compound notes
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