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
    2.9230    0.3620    0.5214 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.4353   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.4603    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842   -1.1244    1.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.5577    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273    0.1277   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    0.1089   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697    1.4839   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324   -1.2120    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415    0.8028   -1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574    0.0338   -0.8676 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