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
    2.6422   -0.5092    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813    0.6234   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    1.1514   -0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689    0.4282   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533   -0.7763   -0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726    1.0286    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    0.3528   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509   -1.0681   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231    2.7220    0.5364 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -1.0340    0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743   -0.1651    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618   -1.2564    0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    0.2744   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189    1.4461   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    0.8038    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5782   -1.4966   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0066   -1.6956    0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1179   -1.2387   -1.3882 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