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
    1.9205    1.3816   -0.7030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7048   -0.2875   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812   -0.5284    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -1.6662    0.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.5029   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851    0.2608    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -0.9642   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999   -0.4632    0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    1.4825   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7580    0.9944    0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2943   -0.7127    0.5620 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