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
   -2.9741   -0.6307   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699    0.7694   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    0.8386   -0.6984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647    0.2442    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -0.3300    1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    0.2918   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -0.2681    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628   -0.2063    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767    1.0940   -1.6834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6937   -0.7180    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692   -0.9332   -1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -1.3864   -0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985    1.2892   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832    1.2867    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -0.7535    1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240    0.7809   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2373   -0.3104    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525   -1.0579   -0.4681 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