2-Amino-3-bromo-6,7-dimethylnaphthalene-1,4-dione

HCID 246348

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6944-78-1
Standard SMILES: Cc1cc2c(cc1C)C(=O)C(Br)=C(N)C2=O
InChIKey: OFXADVAHRDVEEM-UHFFFAOYSA-N
Molecular formula: C12H10BrNO2
Average molar mass: 280.12 g/mol
Monoisotopic mass: 278.98949

Names & identifiers

Preferred name: 2-Amino-3-bromo-6,7-dimethylnaphthalene-1,4-dione
IUPAC: 2-amino-3-bromo-6,7-dimethylnaphthalene-1,4-dione

Names & synonyms

6944-78-1MLS0026932162-amino-3-bromo-6,7-dimethylnaphthalene-1,4-dioneNSC59301NCIOpen2_002475CHEMBL1723945SCHEMBL11348156DTXSID10989296OFXADVAHRDVEEM-UHFFFAOYSA-NHMS3094M17NSC-59301SMR001559177

Show more names

2-Amino-3-bromo-6,7-dimethyl-1,4-naphthoquinone

Database identifiers

CAS: 6944-78-1
PubChem CID: 246348
DTXSID: DTXSID10989296
ChEMBL: CHEMBL1723945

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 388

Related reactions

3 records

New reaction record

HRID 444229As productuspto-grants-1981_04

HRID 1228836As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1559074As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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