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
    2.9805    0.0341   -0.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343   -0.9781   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590   -0.6606   -0.1605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264    0.4920    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925    1.3336    0.8647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    0.7310    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -0.1877   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057    0.0172   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274    2.2037    0.8858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.8838   -0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    0.3454   -1.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9663   -0.4126   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693   -1.0561    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814   -1.9489   -0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.0993   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6662    0.2886   -1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210    0.8715    0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -0.8577   -0.0322 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