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
   -3.5506    0.0904    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135   -0.7278    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.1402    0.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603   -0.3694   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -1.6050   -0.4411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    0.4038   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261   -0.1441   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    0.6481   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827    2.0876    0.3018 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179   -0.2482    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2750    0.0486   -0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    1.1747    0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033   -1.1692   -0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536   -1.5728    0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301   -1.2068   -0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742    0.1129    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753    1.6747    0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1752    0.6624   -1.3070 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