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
    3.3593    0.1487   -0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    0.5864   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -0.4672    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2671   -0.1825    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    1.0200    0.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648   -1.1816    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272   -0.9016    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0452    0.4770    0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -2.8593    0.5983 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    1.0387   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131   -0.2852   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -0.5837    0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    1.1789   -1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    1.2532    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -1.7301    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526    1.1262    1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362    0.4898    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913    0.8724   -0.3137 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