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
   -2.7687    1.0694   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3168   -0.2463   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001   -0.2905   -0.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -0.2067    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960   -0.0904    1.5461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -0.2523    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8946   -0.3739   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3745   -0.4187   -0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.1450    2.0688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3964    1.5713   -0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9024    1.7393    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    0.8657    0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293   -0.3694   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.1000   -0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874   -0.4426   -1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668    0.2461    0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -0.0814   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778   -1.4746   -0.2550 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