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
    3.5368    0.5481   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.0356    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565    0.2142   -0.1836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011   -0.2261    0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082   -0.8775    1.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.0245   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -0.4227    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815   -0.1820   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473    0.9294   -1.6113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    1.0673    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0378   -0.2347   -1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698    1.3020   -1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    0.4395    1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240   -1.1236    0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604   -0.9774    1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8717   -0.6237   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057   -0.7264    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0089    0.9048   -0.0666 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