chempirical

2-Amino-4'-chloroacetophenone

C8H8ClNOCAS 7644-03-3169.61 g/mol

Open in Covalent MOL file
OH2NCl
Aryl halideKetonePrimary amine

Properties

Molecular formula
C8H8ClNO
Molar mass
169.61 g/mol
Exact mass
169.0294 Da
logP
1.48Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
7644-03-3
SMILES
C1=CC(=CC=C1C(=O)CN)Cl
InChIKey
KIFWACLIANOVDG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2

Weigh it out

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

Work with 2-Amino-4'-chloroacetophenone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Amino-p-chloroacetophenone hydrochloride5467-71-0Salt

Similar compounds

2-Aminoacetophenone613-89-863 % similar 2,4′-Dichloroacetophenone937-20-262 % similar 2-Amino-4'-fluoroacetophenone369-43-760 % similar 2′-Bromo-4-chloroacetophenone536-38-960 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-860 % similar 1-(4-Chlorophenyl)-2-phenylethanone1889-71-059 % similar 3-Chloro-1-(4-chlorophenyl)-1-propanone3946-29-058 % similar 2-Aminoacetophenone hydrochloride5468-37-157 % similar

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

Same formula

2-Chloro-6-methylbenzamide101080-58-4 N-(2-Chlorophenyl)acetamide533-17-5 N-(4-Chlorophenyl)acetamide539-03-7 Chloroacetanilide587-65-5 N-(3-Chlorophenyl)acetamide588-07-8 2-Amino-1-(2-chlorophenyl)ethanone743357-99-5

Elsewhere

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