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
    1.6103   -1.7906   -0.6896 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7217   -0.0609   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756    0.5027   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775    1.7168    0.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871   -0.3453   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0148    0.1389   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    0.4811   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682    0.0316    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6892   -1.4005   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    1.1888    0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849   -0.4625   -0.1059 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