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
    3.0091    0.2633    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -1.0983   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771   -0.9158   -0.6723 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2852    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    0.1355    1.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -0.0943   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1383    0.4934    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5157    0.6389   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651   -0.7102   -1.8990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2455    1.0652   -0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    0.4820   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197    0.2770    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -1.6362   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -1.6456    0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624    0.9057    1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2455    0.9301    0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415    1.4738   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -0.2794   -0.6545 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