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
   -1.8114    0.6756    2.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    1.7296    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.4817    0.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907    0.3302   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6642   -0.4562   -0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527    0.0954   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -0.9700   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -1.9978   -1.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088    1.2784   -0.2165 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2556   -0.1890    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    1.1537    2.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723    0.3631    2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3935    2.7184    1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950    1.7293    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093   -1.0988   -1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -1.6061   -2.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673   -2.4096   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -2.8277   -2.1700 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