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
   -1.3124   -0.0541    2.1181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -0.1027    0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -0.0381   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178   -0.0608   -1.7029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8513    0.0534    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592    0.1124   -0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322    0.7750    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613   -1.0321    0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924    0.0720    1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908    0.1786   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    0.0965   -1.6154 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