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
-2.3871 -0.9402 0.9911 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6900 0.2900 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3426 -0.1771 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1732 -0.8914 -1.4628 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7946 0.1891 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 -0.2082 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3528 0.4246 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6234 1.2298 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 0.8229 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2056 -0.8235 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8474 0.0840 0.7027 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