6-Bromo-2-methoxy-1-naphthaleneacetonitrile

C₁₃H₁₀BrNOCAS 92643-17-9276.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₃H₁₀BrNO
Molar mass: 276.13 g/mol
Exact mass: 274.9946 Da
Melting point: 140–143 °C
logP: 3.68Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

92643-17-9

SMILES

COc1ccc2cc(Br)ccc2c1CC#N

InChIKey

GZBQPAVETVFEEX-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrNO/c1-16-13-5-2-9-8-10(14)3-4-11(9)12(13)6-7-15/h2-5,8H,6H2,1H3

Weigh it out

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

Names and synonyms

4 names

1-Naphthaleneacetonitrile, 6-bromo-2-methoxy-
(6-Bromo-2-methoxy-naphthalen-1-yl)-acetonitrile
2-(6-Bromo-2-methoxynaphthalen-1-yl)acetonitrile
2-(6-Bromo-2-methoxy-1-naphthyl)acetonitrile

Work with 6-Bromo-2-methoxy-1-naphthaleneacetonitrile

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

5-Bromo-2-methoxybenzonitrile144649-99-048 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-445 % similar 4-Bromo-2-methylanisole14804-31-045 % similar Bromoveratrole2859-78-145 % similar 2,4-Dibromoanisole21702-84-143 % similar 2-Bromo-6-methoxynaphthalene5111-65-942 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-641 % similar 4-Bromo-2-fluoroanisole2357-52-041 % similar

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

Same formula

2-Amino-4'-bromobenzophenone1140-17-6

Elsewhere

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