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
   -2.8541   -1.0797   -0.4717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.2221   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307   -0.3658   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300   -1.6166    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638    0.4486    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.1194    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863    0.7973   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913    0.8808    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    1.5224    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   -1.1975    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9004    0.5076    0.5007 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