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
   -2.8676   -0.0621    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -0.3726   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2277   -0.7932   -0.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180    0.0580   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273    1.1945    0.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803   -0.2843   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    0.5431    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    0.2187    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273   -1.8522   -0.7745 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6539    1.0006    1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2385   -0.6669    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -0.2550    1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691   -1.1406   -0.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    0.5850   -0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    1.5498    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -0.8642    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1485    0.7809    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    0.3606   -0.8679 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