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
   -3.0172   -0.5425   -0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551    0.5425   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    0.8800   -0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505   -0.0033   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.1770    0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.4076   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -0.4313   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    0.0047   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    2.0563   -0.6707 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4863   -0.4892   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559   -1.5556   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0889   -0.3743   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    1.4526   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    0.2878    0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -1.4463    0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    0.9369    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653   -0.7929    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7846    0.2440   -1.2896 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