Monomers
Methacryloyl chloride
Identifiers
IUPAC name
2-methylprop-2-enoyl chloride
InchI
InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
InchI Key
VHRYZQNGTZXDNX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Cl
Canonical SMILES
CC(=C)C(=O)Cl
Isomeric SMILES
CC(=C)C(=O)Cl
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
1.3279
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
-0.8449 -0.9834 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1903 0.0730 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4604 -0.2173 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2349 1.4548 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6664 2.3538 0.0785 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9138 1.8563 0.1198 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.7375 -1.6867 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7584 -1.5442 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 -0.5707 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2544 0.5165 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -1.2522 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
3 10 1 0
3 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers