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
   -3.0494    0.4084   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.9330   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -0.9400   -0.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477   -0.2202    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    0.4293    1.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -0.2208    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    0.4630    0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5857    0.4449    0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846   -1.1762   -1.2769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070    0.9840    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1156    0.2933   -0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5856    1.0075   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433   -1.3214    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9636   -1.6395   -0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    1.0387    1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031   -0.5230    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    1.2013   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    0.7037    1.4530 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