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
    3.0309    0.2228   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -0.8414    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941   -1.1346   -0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -0.1443   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404    0.9914    0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.3744   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    0.6016   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    0.4603   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -1.9495   -0.8766 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3813    1.0544   -0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9729   -0.1236   -1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    0.6177   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950   -0.6284    1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0168   -1.7850   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8064    1.5971    0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -0.5911   -0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1539    1.0142    0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    1.0129   -1.4776 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