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
   -3.5709    0.1166   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3040   -0.3602   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053   -0.0819    0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606   -0.4227   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739   -0.9784   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460   -0.1644    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335   -0.5103   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6804   -0.2801    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702    0.5968    2.0021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8927   -0.6915    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784    1.0071    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3523    0.3552   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394    0.1718   -1.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047   -1.4332   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -0.9868   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800    0.7443    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600   -1.0007    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -0.3907    1.8806 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