2-Chlorophenyl acetate

C₈H₇ClO₂CAS 4525-75-1170.59 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Density: 1.2166 g/mL (at 20 °C)
Melting point: −20.5–19.5 °C
Boiling point: 103 °C (at 15 Torr)
logP: 2.27Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

4525-75-1

SMILES

CC(=O)Oc1ccccc1Cl

InChIKey

CJPVPOYTTALCNX-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3

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

Names and synonyms

6 names

Acetic acid, 2-chlorophenyl ester
Acetic acid, o-chlorophenyl ester
Phenol, o-chloro-, acetate
o-Chlorophenyl acetate
o-Acetoxychlorobenzene
NSC 404080

Work with 2-Chlorophenyl acetate

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

Acetpyrogall525-52-063 % similar 1-Naphthyl acetate830-81-961 % similar 2-Methylphenyl acetate533-18-659 % similar Aspirin50-78-257 % similar Acetylsalicyloyl chloride5538-51-257 % similar 1,3-Dihydroxybenzene diacetate108-58-755 % similar 2-(Acetyloxy)benzonitrile5715-02-654 % similar Phenyl acetate122-79-252 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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