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
   -2.7832    1.3208    0.0561 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943   -0.0393    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912    0.3821    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    1.5843    0.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355   -0.5097    0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   -0.0880    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472   -0.8379   -0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970   -0.4294    1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -1.5536    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    0.9322    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723   -0.7615    0.6582 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