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
   -3.1010    0.2809    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4074   -0.4989   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -0.1657   -1.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022   -0.2888   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915   -0.7250    1.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.0747   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -0.0605    0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810    0.2977    0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709    0.6797   -1.7753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254    0.8439    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259    1.0305   -0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7474   -0.4182    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731   -1.5913   -0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -0.2609   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471   -0.4325    1.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    0.1075   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594   -0.2504    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    1.3773    0.8145 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