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
   -2.6999    0.6008   -0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -0.6572    0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -1.1510    0.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -0.4376    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314    0.6991    0.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911   -1.0452   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.3735   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320    0.9978    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -2.6546   -1.0741 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238    1.3912    0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6298    0.4533   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563    0.9444   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283   -1.4334    0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684   -0.4976    1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400   -0.8285   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817    1.3350    0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987    1.7328   -0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    0.9242    1.2835 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