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
   -3.4736    0.5974    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3819   -0.4039    0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717    0.1355    0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518   -0.5053    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -1.6140    0.9718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.1359   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377   -0.4404   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    0.1895   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584    1.7045   -0.8909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215    0.3752    1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825    1.6420    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7378    0.5335   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3528   -0.6985    1.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935   -1.3168    0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153   -1.4097    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827    0.6794   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0566    0.9653    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4349   -0.5694   -0.7156 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