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
   -2.3536   -0.2854   -1.5796 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    0.1218    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    0.4533   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322    1.6454   -0.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -0.5055    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   -0.1502    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254   -0.7130    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701    1.0266    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005   -1.5105    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -0.9010    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    0.8184   -0.1515 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