3,5-Dibromo-4-methoxybenzonitrile

C8H5Br2NOCAS 3336-39-8290.94 g/mol

Open in Covalent MOL file
OBrNBr
Aryl halideEtherNitrile

Properties

Molecular formula
C8H5Br2NO
Molar mass
290.94 g/mol
Exact mass
288.8738 Da
Melting point
119–120 °C
logP
3.09Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3336-39-8
SMILES
COc1c(Br)cc(C#N)cc1Br
InChIKey
BUGMOVRSBPGSOS-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Br2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3

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Names and synonyms

4 names
  • Benzonitrile, 3,5-dibromo-4-methoxy-
  • p-Anisonitrile, 3,5-dibromo-
  • 4-Methoxy-3,5-dibromobenzonitrile
  • Bromoxynil methyl

Work with 3,5-Dibromo-4-methoxybenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-4-methoxybenzonitrile117572-79-961 % similar 3,4,5-Trimethoxybenzonitrile1885-35-460 % similar Bromoxynil1689-84-557 % similar 2,4,6-Tribromoanisole607-99-855 % similar 3,5-Dimethoxybenzonitrile19179-31-853 % similar 2,6-Dibromoanisole38603-09-748 % similar 2-Bromo-5-methoxybenzonitrile138642-47-447 % similar 3-Bromo-4-methylbenzonitrile42872-74-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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