Monomers

2-Chloro-2-butenoic acid ethyl ester

Identifiers

IUPAC name
ethyl (Z)-2-chlorobut-2-enoate
InchI
InChI=1S/C6H9ClO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-
InchI Key
GNIGIXRJSOSZNA-HYXAFXHYSA-N
SMILES
CCOC(=O)/C(=C/C)/Cl
Canonical SMILES
CCOC(=O)C(=CC)Cl
Isomeric SMILES
CCOC(=O)/C(=C/C)/Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9ClO2
Heavy Atom Count
9
Molecular Weight
148.589
Exact Molecular Weight
148.0291
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.6921
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

 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.4599    0.6127    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3177   -0.5395   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1477   -0.3283   -0.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595   -0.2365   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -0.3398    0.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.0214   -1.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.0661   -0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -0.0442    1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.1237   -2.8137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036    0.2755    1.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    1.2889    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    1.2212    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1540   -0.6299   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505   -1.5126    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112    0.2274   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    0.7570    1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -1.0256    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    0.1052    1.3209 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  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers