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
   -3.5345   -0.4329    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872    0.4576    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.2283    0.2994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.3746   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    1.5519   -0.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -0.2751    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    0.3479   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721   -0.2510    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745   -1.8775    0.8405 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725   -0.9843   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3146    0.2483    0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933   -1.1845    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3742    1.3964    0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5584    0.6689   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    1.3446   -0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136   -0.0509   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.2325    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051   -1.3383    0.1832 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