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
    3.0267   -0.0910    0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0918    1.0036    0.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    0.6985    0.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949   -0.4251    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672   -1.2375    1.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626   -0.6887    0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765    0.1751   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2722   -0.0650   -0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -2.1306    0.9074 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -1.0114   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401   -0.3295    1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    0.2703   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470    1.9719    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    1.1354    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    1.0664   -0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    0.7105   -0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639   -1.0367   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3824   -0.0162   -2.0152 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