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
    3.0326    0.0949    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3957   -0.7160   -0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -0.9244   -0.5297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.0997   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249    1.2709   -0.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236   -0.2328    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015    0.7277    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5104    0.4375    0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590   -1.8824    0.2203 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.4192    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3416    1.1128   -0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    0.2978    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626   -1.7367   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   -0.2055   -1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    1.7647    0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065    0.3959    1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8919   -0.4934    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1298    1.2694    0.2352 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