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
   -2.6049   -0.0421   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314    0.4216    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911   -0.1799    1.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1149   -0.0491    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221    0.6186   -0.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590   -0.6310    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735   -0.4842    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182    0.2835   -0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -1.5591    2.5496 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -0.6879   -0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570   -0.6016   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417    0.8372   -1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0808    0.1412    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    1.5335    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911   -0.9476    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -0.2061   -1.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178    1.3486   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    0.2045   -1.2552 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