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
   -2.5940   -0.3708   -0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6239   -0.7293    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.2770    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487    1.0413    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    1.9075    0.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360    1.4589   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.6001   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -0.8531    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826    3.1606   -0.2295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    0.6076   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025   -0.2530    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -1.1884   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -1.8515    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -0.4233    1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    0.9614   -0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -1.2443   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -1.4500   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7611   -1.0964    1.0355 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