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
   -2.7354   -1.0386    1.2145 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070    0.5018    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6110    0.4779    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151    0.9863    1.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701   -0.0496   -0.5996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -0.0162   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437   -0.9886   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    1.2850    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    0.7517   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    0.8568   -0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -1.8322    0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099   -0.9343   -0.0160 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