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
    2.9638   -0.1495   -0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -0.1265    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    0.4249    0.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -0.1738    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3521   -1.1910   -0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    0.3612    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115   -0.2401   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934    0.2491   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    1.7749    1.2809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7341   -1.1154   -1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918   -0.0945   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    0.7267   -1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581   -1.1170    1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    0.5514    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -1.1068   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180    0.8639    0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207   -0.5748   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668    0.9372   -1.0357 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