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
    3.0499   -0.1885   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    0.5578    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.9929    0.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318    0.0477    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4749   -1.1663    0.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443    0.3881   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274   -0.5455   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5464   -0.2576   -0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    2.0656   -0.1174 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2640   -0.4074   -1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -1.1517    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    0.3390   -0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646    1.4206    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951   -0.1044    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -1.5792   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669    0.2656   -1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9001    0.4727    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675   -1.1495   -0.6005 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