chempirical

4-Ethoxy-2,3-difluorobenzonitrile

C9H7F2NOCAS 126162-96-7183.16 g/mol

Open in Covalent MOL file
ONFF
Aryl halideEtherNitrile

Properties

Molecular formula
C9H7F2NO
Molar mass
183.16 g/mol
Exact mass
183.0496 Da
Melting point
45 °C
logP
2.24Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
126162-96-7
SMILES
CCOc1ccc(C#N)c(F)c1F
InChIKey
NVCHMZSUFSRXTF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-4H,2H2,1H3

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Names and synonyms

1 names
  • Benzonitrile, 4-ethoxy-2,3-difluoro-

Work with 4-Ethoxy-2,3-difluorobenzonitrile

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

2,3-Difluoro-4-methoxybenzonitrile256417-12-663 % similar 2-Ethoxybenzonitrile6609-57-057 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-254 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-550 % similar 1-Ethoxy-2,3-difluorobenzene121219-07-647 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-346 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-746 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-645 % similar

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

Elsewhere

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