Ethyl 4-chlorobenzoate

C₉H₉ClO₂CAS 7335-27-5184.62 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Melting point: 71–73 °C
Boiling point: 237.5 °C
logP: 2.52Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

7335-27-5

SMILES

CCOC(=O)c1ccc(Cl)cc1

InChIKey

RWBYCMPOFNRISR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

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Names and synonyms

8 names

Benzoic acid, 4-chloro-, ethyl ester
Benzoic acid, p-chloro-, ethyl ester
Ethyl p-chlorobenzoate
p-(Ethoxycarbonyl)phenyl chloride
4-Chlorobenzoic acid ethyl ester
NSC 10859
4-(Ethoxycarbonyl)chlorobenzene
4-(Ethoxycarbonyl)phenyl chloride

Work with Ethyl 4-chlorobenzoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl terephthalate636-09-978 % similar Ethyl 3,5-dichlorobenzoate91085-56-269 % similar Ethyl 4-methylbenzoate94-08-666 % similar Ethyl 4-(dimethylamino)benzoate10287-53-365 % similar Ethyl 4-chloromethylbenzoate1201-90-765 % similar Ethyl benzoate93-89-065 % similar Ethylparaben120-47-864 % similar Ethyl 4-ethoxybenzoate23676-09-764 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

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