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
   -2.4335    0.7237    0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3473   -0.4407   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489   -1.1323   -0.2351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817   -0.4677   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    0.7361   -0.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3075   -1.1911   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.5941   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    0.8210   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -2.8712    0.4087 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5043    0.8236    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3024    0.4905    1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267    1.6417   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2294   -0.0288   -1.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304   -1.0869   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3633   -1.1400    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455    1.5234    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    1.1721   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412    1.0207   -1.6028 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