chempirical

2-Bromo-5-methoxybenzonitrile

C8H6BrNOCAS 138642-47-4212.05 g/mol

Open in Covalent MOL file
OBrN
Aryl halideEtherNitrile

Properties

Molecular formula
C8H6BrNO
Molar mass
212.05 g/mol
Exact mass
210.9633 Da
logP
2.33Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
138642-47-4
SMILES
COC1=CC(=C(C=C1)Br)C#N
InChIKey
ZQONVYONOASKIY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-5-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

2,5-Dimethoxybenzonitrile5312-97-064 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-060 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-556 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-956 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-455 % similar 4-Bromo-3-methylanisole27060-75-953 % similar 2-Bromo-5-methoxybenzenamine59557-92-553 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromo-4-methoxybenzonitrile117572-79-9 5-Bromo-2-methoxybenzonitrile144649-99-0 4-Bromo-2-methylphenyl isocyanate1591-98-6 5-Bromo-2-oxindole20870-78-4 3-Bromomethylbenzisoxazole37924-85-9

Elsewhere

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