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
   -3.3468   -0.0281   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674    0.6087   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.4310    0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.0863    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    1.1289    0.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -1.1006    0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.8187    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152    0.5696    0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7444   -2.7618    0.7100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611   -1.0528    0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0966    0.5788    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -0.1618   -1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366    1.1148   -1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    1.2949    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522   -1.6008    0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    1.2401    1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8142    0.9450   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    0.5612    0.7222 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