4,5-Dibromo-2-methoxyaniline

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Basic information

CAS: 367521-06-0
Standard SMILES: COc1cc(Br)c(Br)cc1N
InChIKey: QRSDRPFQDQCMLZ-UHFFFAOYSA-N
Molecular formula: C7H7Br2NO
Average molar mass: 280.94 g/mol
Monoisotopic mass: 278.88944

Names & identifiers

Preferred name: 4,5-Dibromo-2-methoxyaniline
IUPAC: 4,5-dibromo-2-methoxyaniline

Names & synonyms

4,5-dibromo-2-methoxyaniline367521-06-04,5-dibromo-2-methoxyphenylamine4,5-Dibromo-2-methoxy-phenylamineMLS001029718SCHEMBL5946312CHEMBL1480616DTXSID001327871HMS2784N13SBB007586STK529824AKOS005462391

Show more names

SMR000427046ST059642

Database identifiers

CAS: 367521-06-0
PubChem CID: 911334
DTXSID: DTXSID001327871
ChEMBL: CHEMBL1480616
Nikkaji: J1.628.314B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Experimental & physicochemical properties

Solubility14.7 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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