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
    3.0945    0.1918   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413   -1.0860   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -1.0274   -0.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1020   -0.2247    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6010    0.4439    1.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -0.1548    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076    0.6266    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521    0.7292    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -1.0845   -1.2828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8046    0.7457   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291    0.8242    0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681   -0.0597   -0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -1.8031   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365   -1.5443    0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.2162    1.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811    1.3908    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588   -0.3093    0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7308    1.1253   -0.5984 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