Monomers
2-Chloroethyl methacrylate
Identifiers
IUPAC name
2-chloroethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H9ClO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InchI Key
GPOGMJLHWQHEGF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCCl
Canonical SMILES
CC(=C)C(=O)OCCCl
Isomeric SMILES
CC(=C)C(=O)OCCCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9ClO2
Heavy Atom Count
9
Molecular Weight
148.589
Exact Molecular Weight
148.0291
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.3445
H Bond Acceptors
2
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
18 17 0 0 0 0 0 0 0 0999 V2000
2.3128 0.8260 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 -0.2104 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 -0.8804 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 -0.4735 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3478 -1.3670 0.7116 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6072 0.1895 -0.9022 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9754 -0.0673 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7599 0.1760 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6061 1.8618 0.7459 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9613 1.3866 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0169 0.3369 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6416 1.5491 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8059 -1.6322 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 -0.7063 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4171 0.5884 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1799 -1.1069 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8521 0.0142 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4769 -0.4844 1.0257 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
6 7 1 0
7 8 1 0
8 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers