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
   -3.3406   -0.7542   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9641   -0.4716    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -0.2140   -0.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2820    0.0632   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853    0.0707    0.9070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886    0.3371   -1.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211    0.5955   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    0.6101    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    0.3250   -2.9876 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.2117   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8709   -1.4326    0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3607   -1.1623   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.2984    1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267    0.4372    1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544    0.7984   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205    0.8331    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -0.3823    0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    1.4335    1.0593 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