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
    2.0711    1.5200   -0.5040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.1971    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   -0.5914   -0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740   -1.3637   -1.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213   -0.4785   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5977    0.2951    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    0.6708    1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564   -0.4577    0.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4896   -1.0981   -1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7011    0.3400    0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973    0.9663    1.0511 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