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
   -2.6591    1.2490    0.9924 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123   -0.2309    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7219   -0.3134   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.3097   -0.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998    0.6734    0.4313 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    0.7295    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894   -0.1228   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5907   -1.1137    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051   -0.2347   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    1.6399    0.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    0.0791   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0099   -1.0457   -0.6680 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