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
    3.0159   -0.2479   -0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640    0.5761    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    0.4759    0.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364   -0.6734    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -1.7337    0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -0.6608    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905    0.4338   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634    0.4599   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -2.1484    0.2766 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -0.5579   -1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752    0.3480   -1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929   -1.1589   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449    0.3631    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    1.6667   -0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4359    1.3574   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8661    0.6504    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8914   -0.4884   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8023    1.3381   -0.8940 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