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
   -3.0088    0.5097   -0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997   -0.7911   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256   -0.9929   -0.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565   -0.1253    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157    0.8822    0.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.3457   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1685    0.4844    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    0.2504    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.7418   -0.9298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4776    0.3293   -1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    0.9024    0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    1.2583   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657   -1.6072   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.8076    1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628    1.3417    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8051    0.0948   -0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736   -0.6875    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540    1.0459    0.5564 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