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
   -3.1319   -0.7831   -0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256    0.3094    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364    0.0934    0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226    0.9503    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052    1.9439    1.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.7136    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9353   -0.3072   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.4706   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455    1.8917    1.1072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8584   -0.3616   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032   -1.3771    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -1.5265   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511    1.3005   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300    0.2833    1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3024   -1.0529   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723   -1.0709    0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527   -1.0725   -1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    0.5364   -0.4102 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