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
   -2.9608    0.4113    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    0.1046   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808    0.4409   -1.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766   -0.1832   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -1.0409    0.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    0.1297   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -0.4781    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240   -0.2249    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.3119   -1.3740 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6493    1.2899    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5005   -0.4571    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1221    0.7311    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989   -1.0029   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449    0.6139   -1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763   -1.2110    1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8487   -0.0088    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -1.0771    0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    0.6506   -0.0759 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