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
    2.2034   -1.1767   -0.6366 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6974    0.3596    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    0.4811    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770    1.5701    0.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7133   -0.5441   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.3804    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029    0.5769    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    1.1897   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734   -1.4879   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3575    0.5593    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253   -1.1476   -0.2284 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