chempirical

4-Chlorocinnamamide

C9H8ClNOCAS 18166-64-8181.62 g/mol

Open in Covalent MOL file
OH2NCl
AlkeneAmideAryl halide

Properties

Molecular formula
C9H8ClNO
Molar mass
181.62 g/mol
Exact mass
181.0294 Da
logP
1.84Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
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
18166-64-8
SMILES
C1=CC(=CC=C1/C=C/C(=O)N)Cl
InChIKey
PWXPFYVNYKVJBW-ZZXKWVIFSA-N
InChI
InChI=1S/C9H8ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+

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

Work with 4-Chlorocinnamamide

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

4,4'-Dichlorochalcone19672-59-459 % similar 4-Chlorocinnamic acid1615-02-758 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-558 % similar 4-Chlorochalcone956-04-754 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-353 % similar 4-Chlorocinnamaldehyde49678-02-645 % similar 4-Chlorobenzamide619-56-744 % similar 4-Chlorobenzaldehyde104-88-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook