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
   -2.9521    0.1791   -0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -1.0819    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8046   -0.8228   -0.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1977    0.1982    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9474    0.8602    1.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.5231    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -0.1574   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    0.2083   -0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8734    1.8353    1.4239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.0635   -0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    0.8128    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3144    0.7616   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3809   -1.2422    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229   -1.9655   -0.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5632   -0.9636   -0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071    1.0191   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    0.5579    0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782   -0.6587   -0.6456 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