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
    2.9509   -0.8099   -0.4938 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.1930    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394   -0.3086   -0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664   -1.3057   -0.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647    0.3492    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0363   -0.0956   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269    1.2526   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427    0.1429    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018    1.2036    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1246   -0.9666   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837    0.3452    0.1380 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