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
-2.0671 1.5055 -1.1730 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 0.2001 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 0.3272 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 1.0483 1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -0.3979 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0070 -0.3566 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7916 -0.7760 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4334 0.1183 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4876 -1.0385 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 0.2655 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -0.8959 -0.4479 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