Monomers

Chloromethyl vinyl ketone

Identifiers

IUPAC name
1-chlorobut-3-en-2-one
InchI
InChI=1S/C4H5ClO/c1-2-4(6)3-5/h2H,1,3H2
InchI Key
SEVIEHFDUHCSCV-UHFFFAOYSA-N
SMILES
ClCC(=O)C=C
Canonical SMILES
C=CC(=O)CCl
Isomeric SMILES
C=CC(=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5ClO
Heavy Atom Count
6
Molecular Weight
104.536
Exact Molecular Weight
104.0029
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
0.9803
H Bond Acceptors
1
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

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.6216    0.7982    0.3095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6124   -0.5556   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554   -0.3530    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478   -0.7973    1.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258    0.3772   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249    0.5620    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0244   -1.5428    0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -0.5559   -1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829    0.7681   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    1.1080   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    0.1910    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  2  7  1  0
  2  8  1  0
  5  9  1  0
  6 10  1  0
  6 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers