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
   -2.8987   -1.2051   -0.2604 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6703   -0.0458   -0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213   -0.3930   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440   -1.4438    0.4808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    0.4674   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0182    0.1617   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    0.9475   -0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    0.1004   -1.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    1.3526   -1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642    0.7975   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -0.7394    0.5310 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