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
    2.6343   -0.3811   -1.6895 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -0.0450   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212   -0.2434    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.3105    0.8504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.7152    0.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993    0.5380    0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    0.0403   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    0.9515    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -0.7949    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496    0.8847    1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436   -0.0309    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852   -0.3237   -1.2853 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