chempirical

Ethyl m-chlorobenzoate

C9H9ClO2CAS 1128-76-3184.62 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEster

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Boiling point
243 °C
logP
2.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1128-76-3
SMILES
CCOC(=O)c1cccc(Cl)c1
InChIKey
LVFRSNCBCHABAM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

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

Names and synonyms

5 names
  • Benzoic acid, 3-chloro-, ethyl ester
  • Benzoic acid, m-chloro-, ethyl ester
  • Ethyl 3-chlorobenzoate
  • 3-Chlorobenzoic acid ethyl ester
  • NSC 67339

Work with Ethyl m-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

1,3-Diethyl 1,3-benzenedicarboxylate636-53-377 % similar Ethyl 3,5-dichlorobenzoate91085-56-273 % similar Ethyl 4-chlorobenzoate7335-27-568 % similar Ethyl 3-methylbenzoate120-33-267 % similar Ethyl 3-bromobenzoate24398-88-767 % similar Ethyl 3-fluorobenzoate451-02-567 % similar Ethyl m-(chloromethyl)benzoate54589-54-766 % similar Ethyl 3-aminobenzoate582-33-265 % similar

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

Same formula

2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0 Methyl 4-(chloromethyl)benzoate34040-64-7

Elsewhere

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