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
    3.5468   -0.6085    0.3026 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1610    0.5050    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9370   -0.3024    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493   -1.5594    0.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809    0.3201   -0.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -0.4041   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6150    0.2097   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670    1.1666    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    1.1391   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407   -1.4777   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    1.3041   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650   -0.2923   -0.3105 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