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
    2.9613    0.0892    0.2348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -0.4022    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273    0.8107   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    1.9657   -0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112    0.6685   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -0.5249   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596   -1.0895   -0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535   -0.9789    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559    1.5407   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -0.7033   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994   -1.3760    0.0650 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