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
   -2.5242    0.4134   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3696   -0.2647    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453   -0.9797    0.5219 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654   -0.3504    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0463    0.8974    0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -1.1099    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4908   -0.5565    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6839    0.9003    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424   -2.8395    0.6599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.3652   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436    1.4577   -0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2702   -0.1070   -1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    0.4813    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1728   -1.0275    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924   -1.1511    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    1.1868   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    1.5083    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613    1.1759   -0.9208 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