chempirical

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

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

Weigh it out

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

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

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 Diethyl phthalate84-66-249 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-948 % similar Ethyl m-(chloromethyl)benzoate54589-54-748 % similar Diethyl terephthalate636-09-947 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook