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
   -2.5851    0.7016    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -0.5793   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -1.1828    0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1166   -0.5213   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    0.6562   -0.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.1073    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5199   -0.4845    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956    0.8891   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195   -2.7318    1.0624 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6585    0.9565    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576    0.5900    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100    1.5663   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238   -1.2876   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -0.3250   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124   -0.9619    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518    1.2782   -0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843    0.9467   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024    1.5970    0.4439 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