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
    2.9639    0.1099   -0.4824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2585   -0.3653   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    0.7518    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0279    1.8354    0.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725    0.6130    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6157   -0.5022    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -0.6633   -1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -1.2637    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643    1.4215    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777   -0.6157    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -1.3213   -0.3176 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