3-Ethoxybenzoyl chloride

C9H9ClO2CAS 61956-65-8184.62 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
logP
2.46Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number
61956-65-8
SMILES
CCOC1=CC=CC(=C1)C(=O)Cl
InChIKey
GDBMWSHYPYKDED-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3

Weigh it out

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

Work with 3-Ethoxybenzoyl chloride

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

3-Methoxybenzoyl chloride1711-05-364 % similar 3-Ethoxybenzoic acid621-51-263 % similar 3-Ethoxybenzhydrazide27830-16-659 % similar 1,3-Diethoxybenzene2049-73-256 % similar Isophthaloyl chloride99-63-856 % similar 3-Ethoxybenzamide55836-69-655 % similar 3-(Trifluoromethoxy)benzoyl chloride86270-03-355 % similar 3-Methylbenzoyl chloride1711-06-451 % 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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