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
   -2.7081    0.6680    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -0.6100   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579   -1.1144    0.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -0.4602   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    0.6797   -0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -1.0313    0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197   -0.4339    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    0.9214   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.6331    1.2612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    1.5422   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    0.6908    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    0.7900    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525   -1.3776   -0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -0.4609   -1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888   -0.9134    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    1.6874    0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.2085   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    0.8466   -1.1784 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