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
   -3.1425    0.0703    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963   -0.7420   -0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.3363   -0.9687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.2939   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3879   -0.6440    1.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496    0.1478   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    0.1876    0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    0.6271    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    0.6367   -1.9732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088    0.7052    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446    0.6722   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790   -0.6362    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191   -0.6541   -1.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825   -1.8314   -0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -0.1100    1.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    1.2044   -0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541   -0.2692    0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    1.2657    1.1010 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