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
-2.3949 1.3012 0.8015 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7000 -0.0761 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 -0.3689 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1796 -1.2044 1.2897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8323 0.2827 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0519 0.0155 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 0.2061 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 -0.9478 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 1.0043 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9316 0.4935 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1576 -0.7061 0.9972 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