Ethyl 5-(chloromethyl)-2-furancarboxylate

C8H9ClO3CAS 2528-00-9188.61 g/mol

Open in Covalent MOL file
OOOCl
Alkyl halideEster

Properties

Molecular formula
C8H9ClO3
Molar mass
188.61 g/mol
Exact mass
188.0240 Da
logP
2.20Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
2528-00-9
SMILES
CCOC(=O)C1=CC=C(O1)CCl
InChIKey
JBACYJRMCXLIQU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3

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Work with Ethyl 5-(chloromethyl)-2-furancarboxylate

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

Diethyl 2,5-furandicarboxylate53662-83-270 % similar Methyl 5-(chloromethyl)-2-furoate2144-37-868 % similar Ethyl 4-chloromethylbenzoate1201-90-753 % similar Ethyl 2-furoate1335-40-650 % similar Ethyl 2-furoate614-99-350 % similar Ethyl 2-chloro-1,3-oxazole-5-carboxylate862599-47-149 % similar Diethyl phthalate84-66-249 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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