chempirical

trans-2-Chloro-6-fluoro-beta-nitrostyrene

C8H5ClFNO2CAS 60610-68-6201.58 g/mol

Open in Covalent MOL file
ClN+OO−F
AlkeneAryl halideNitro

Properties

Molecular formula
C8H5ClFNO2
Molar mass
201.58 g/mol
Exact mass
200.9993 Da
logP
2.73Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
60610-68-6
SMILES
C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])F
InChIKey
JCIAIKBVPVMTBD-SNAWJCMRSA-N
InChI
InChI=1S/C8H5ClFNO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+

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Names and synonyms

1 names
  • 2-Chloro-6-fluoro-omega-nitrostyrene

Work with trans-2-Chloro-6-fluoro-beta-nitrostyrene

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

1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-576 % similar 1-(2-Chlorophenyl)-2-nitroethylene3156-34-159 % similar 3,4-Dichloro-omega-nitrostyrene18984-16-253 % similar 2-Chloro-6-fluorobenzaldehyde387-45-151 % similar 2,4-Dichloro-1-(2-nitroethenyl)benzene18984-21-951 % similar (E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-one175136-82-049 % similar trans-2-Chloro-6-fluorocinnamic acid392-22-349 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-248 % similar

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

Elsewhere

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