Ethyl 3-chlorobenzoylformate

C10H9ClO3CAS 62123-73-3212.63 g/mol

Open in Covalent MOL file
OOOCl
Aryl halideEsterKetone

Properties

Molecular formula
C10H9ClO3
Molar mass
212.63 g/mol
Exact mass
212.0240 Da
logP
2.09Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
62123-73-3
SMILES
CCOC(=O)C(=O)C1=CC(=CC=C1)Cl
InChIKey
AORWOAPLLYVOEU-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3

Weigh it out

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Work with Ethyl 3-chlorobenzoylformate

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

Ethyl benzoylformate1603-79-867 % similar Ethyl m-chlorobenzoate1128-76-366 % similar Ethyl 3,4-dichlorophenylglyoxylate34966-52-465 % similar 3-(3-Chloro-phenyl)-3-oxo-propionic acid ethyl ester33167-21-458 % similar Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate73790-05-357 % similar Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-752 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-152 % similar 3′-Chloropropiophenone34841-35-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Chloroformyl)benzyl acetate1638-63-7 3-(Acetyloxy)-2-methylbenzoyl chloride167678-46-8 Ethyl 4-chlorobenzoylformate34966-48-8 3-(4-Chlorobenzoyl)propionic acid3984-34-7

Elsewhere

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