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
   -3.2985   -0.8178   -0.8334 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380    0.3143   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.0611   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5880   -0.2009   -1.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.2566    0.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832   -0.6147   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    0.2844   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    1.3463   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576    0.3169    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677   -1.6631   -0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1754    1.3341   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3156    0.0183   -1.0003 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