Monomers

Vinyl chloroacetate

Identifiers

IUPAC name
ethenyl 2-chloroacetate
InchI
InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
InchI Key
XJELOQYISYPGDX-UHFFFAOYSA-N
SMILES
ClCC(=O)OC=C
Canonical SMILES
C=COC(=O)CCl
Isomeric SMILES
C=COC(=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.0192   -1.3923   -0.2065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2093   -0.0889    0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389   -0.3849    0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2847   -1.2402    1.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497    0.2171   -0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.0099   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    0.7345    0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    0.8824    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    0.0045    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   -0.7672   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946    0.5710    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8736    1.4739    1.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  2  8  1  0
  2  9  1  0
  6 10  1  0
  7 11  1  0
  7 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers