2-Chloro-5-amino-acetophenone

C₈H₈ClNOCAS 99914-14-4169.61 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₈H₈ClNO
Molar mass: 169.61 g/mol
Exact mass: 169.0294 Da
logP: 2.12Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

99914-14-4

SMILES

CC(=O)C1=C(C=CC(=C1)N)Cl

InChIKey

OFXIFGBYOCETDW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3

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Names and synonyms

1 names

1-(5-Amino-2-chlorophenyl)ethanone

Work with 2-Chloro-5-amino-acetophenone

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-(2,5-Dichlorophenyl)ethanone2476-37-164 % similar 2'-Chloro-5'-fluoroacetophenone2965-16-460 % similar 5-Amino-2-chlorobenzoic acid89-54-360 % similar Methyl-5-amino-2-chlorobenzoate42122-75-859 % similar 2′-Chloroacetophenone2142-68-959 % similar 3'-Aminoacetophenone99-03-656 % similar 4'-Amino-2'-hydroxyacetophenone2476-29-156 % similar 2'-Chloro-5'-(trifluoromethyl)acetophenone71648-45-855 % 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 2-Amino-4'-chloroacetophenone7644-03-3

Elsewhere

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