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
   -2.6259    1.5567    0.6520 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449    0.4006   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711    0.3371    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    1.0515    1.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675   -0.5214   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882   -0.5833    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1672   -0.5847   -0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494    0.7278   -1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752   -1.1303   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221   -0.0062    1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -1.2477   -0.2572 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