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
   -3.0390   -0.2451   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    0.0179    0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -0.0275    0.5995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464    0.7887   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    1.6339   -0.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.6189   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -0.2986    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965   -0.5135   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477    1.6238   -1.7188 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160   -0.1860   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643    0.4832   -0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4853   -1.2765   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041   -0.8068    1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993    0.9556    1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283   -0.9108    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0311    0.0461    0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048   -1.5977    0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503   -0.3057   -1.1246 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