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
    3.0390   -0.3794   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    0.8750    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123    1.0966   -0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1149    0.1646    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056   -0.8444    0.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756    0.3464   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513   -0.5693    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5975   -0.4280   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582    1.7260   -1.0356 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1600   -0.2605   -0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272   -1.2755    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036   -0.4702   -1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.8574    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    1.7560   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -1.4523    0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6767    0.2045   -1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0682    0.0889    0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371   -1.4358   -0.3307 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