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
   -3.0270    0.0569    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1044   -1.1360    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7362   -0.7432    0.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244   -0.0078   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296    0.2977   -1.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461    0.4310   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055    0.1345    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    0.5612    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    1.3686   -1.9338 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852   -0.0375   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5453    0.1893    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    0.9552    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.6837   -0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3346   -1.8397    1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050   -0.4504    1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259    1.3470   -0.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.3528    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666    0.9097    1.3593 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