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
   -3.9147    0.0039   -0.7641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095   -0.4346   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    0.3340    0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    0.0446    0.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    0.2240   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076    0.6884   -1.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151   -0.1402    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478    0.0107   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -0.2583   -1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -1.5315   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362    1.4155    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.0423    1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -0.5407    1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224    0.4075   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239   -0.2655   -0.0342 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