chempirical

2-(2-Chloroethoxy)acetic acid

C4H7ClO3CAS 14869-41-1138.55 g/mol

Open in Covalent MOL file
OHOOCl
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C4H7ClO3
Molar mass
138.55 g/mol
Exact mass
138.0084 Da
Density
1.3296 g/mL (at 20 °C)
Melting point
32.5–33 °C
Boiling point
130 °C (at 3.5 Torr)
logP
0.33Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
14869-41-1
SMILES
O=C(O)COCCCl
InChIKey
MHXJETVNZPUVEN-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO3/c5-1-2-8-3-4(6)7/h1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2-(2-chloroethoxy)-
  • Acetic acid, (2-chloroethoxy)-
  • 1-Chloro-2-(carboxymethoxy)ethane
  • 2-Chloroethoxyacetic acid
  • 5-Chloro-3-oxapentanoic acid

Work with 2-(2-Chloroethoxy)acetic acid

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

2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-770 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-770 % similar 3,6,9-Trioxaundecanedioic acid13887-98-467 % similar Diglycolic acid110-99-661 % similar (2-Methoxyethoxy)acetic acid16024-56-955 % similar [2-(2-Methoxyethoxy)ethoxy]acetic acid16024-58-153 % similar Butoxyacetic acid2516-93-053 % similar 3-Chloropropionic acid107-94-850 % similar

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

Same formula

2-Methoxyethyl chloroformate628-12-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook