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
1.6103 -1.7906 -0.6896 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7217 -0.0609 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 0.5027 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 1.7168 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7871 -0.3453 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 0.1389 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 0.4811 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 0.0316 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6892 -1.4005 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1262 1.1888 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8849 -0.4625 -0.1059 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