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
    3.0546    0.1540    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402   -0.8550    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658   -0.4837    0.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879   -0.3437   -0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894   -0.5484   -1.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    0.0398   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.2621    0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4124    0.6442    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.2022   -2.3712 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    0.3551    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    1.1210   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -0.1916   -0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   -1.8610    0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3252   -0.8544    1.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646    0.1579    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727    1.1184   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730    1.3247    0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0824   -0.2416    0.1373 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