4-Bromo-2-methoxy-3-(trifluoromethyl)aniline

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Basic information

CAS: 627531-41-3
Standard SMILES: COc1c(N)ccc(Br)c1C(F)(F)F
InChIKey: JXQNQTASCDHMIL-UHFFFAOYSA-N
Molecular formula: C8H7BrF3NO
Average molar mass: 270.05 g/mol
Monoisotopic mass: 268.9663106

Names & identifiers

Preferred name: 4-Bromo-2-methoxy-3-(trifluoromethyl)aniline
IUPAC: 4-bromo-2-methoxy-3-(trifluoromethyl)aniline

Names & synonyms

4-Bromo-2-methoxy-3-(trifluoromethyl)aniline627531-41-3SCHEMBL2964912DTXSID901239245MFCD287417914-Bromo-2-methoxy-3-trifluoromethyl-aniline4-Bromo-2-methoxy-3-trifluoromethyl-phenylamine4-Bromo-2-methoxy-3-(trifluoromethyl)benzenamine

Database identifiers

CAS: 627531-41-3
PubChem CID: 59754336
DTXSID: DTXSID901239245

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Related reactions

3 records

New reaction record

HRID 92447As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 501550As productuspto-grants-2010_08

HRID 751070As productuspto-grants-2008_07

Compound notes

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