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
   -2.6238    1.3644    1.0337 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463   -0.0903    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993   -0.0842   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    0.3451   -1.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846   -0.5510    0.5226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -0.5426    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    0.4346    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432   -0.1603   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650   -1.0272    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -1.4304   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    0.3498   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    1.3923    0.7900 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