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Methyl 2-chloropropanoate

CAT: 0127-OR5107-01Size: 10 gDry Ice: NoHazardous: No
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CAS Number
17639-93-9
Synonyms
Methyl 2-chloropropionate
MDL Number
MFCD00000863
Purity
=95%
Smiles
COC(=O)C(C)Cl

Chemical Information

Methyl 2-chloropropionate

Methyl 2-chloropropionate appears as a colorless liquid. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.

CAS Number17639-93-9
PubChem CID28659
IUPAC Namemethyl 2-chloropropanoate
Molecular FormulaC4H7ClO2
Molecular Weight122.55
XLogP1.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
CC(C(=O)OC)Cl
InChI
InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-chloropropionate
CAS: 17639-93-9
CID: 28659
Formula: C4H7ClO2
MW: 122.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.55
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass122.0134572
Monoisotopic Mass122.0134572
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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