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
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
2.3669 0.6531 -0.0617 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1612 -0.5767 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1759 -0.7408 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3965 -1.6701 1.3927 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9796 0.1087 0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2193 1.0757 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7129 -0.2520 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6886 -1.5476 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 -0.0255 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 1.2412 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0746 1.7340 -0.1195 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