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
   -3.1874    0.5519   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2988   -0.5339    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.1788    0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.0086    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179   -2.1161    1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232   -0.6502    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953    0.5059    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    0.8396   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -1.7670    1.1235 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206    0.3205   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    1.5368   -0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1127    0.5550    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -1.4946   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4737   -0.6354    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    1.2017   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6781    0.8365   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    0.1619    0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    1.8747    0.3609 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