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
   -3.0032    0.1138   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504    0.0107    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533    0.1656    0.6824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -0.6889   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.6225   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850   -0.5558   -0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701    0.4093    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4285    0.6081   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -1.6909   -1.4351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0627    0.4463   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858    0.8235   -1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -0.8684   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872   -0.9772    1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649    0.8397    1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    1.1254    0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896   -0.4058   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762    1.1856   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718    1.0812    0.8560 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