Monomers

2-Chloroethyl acrylate

Identifiers

IUPAC name
2-chloroethyl prop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InchI Key
WHBAYNMEIXUTJV-UHFFFAOYSA-N
SMILES
ClCCOC(=O)C=C
Canonical SMILES
C=CC(=O)OCCCl
Isomeric SMILES
C=CC(=O)OCCCl
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
0.9544
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.9083    1.6456   -1.2212 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    0.0419   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4989   -0.1239    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485    0.0537   -0.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -0.0793    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -0.3415    1.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    0.0848   -0.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835   -0.0383   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8743   -0.7601   -1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108   -0.0959    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    0.6482    1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -1.1511    0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.3104   -1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274    0.0735   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.2678    1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  2  9  1  0
  2 10  1  0
  3 11  1  0
  3 12  1  0
  7 13  1  0
  8 14  1  0
  8 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers