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
-2.2883 -1.0562 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6782 0.2894 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4239 1.3613 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2425 0.4377 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2960 1.5741 0.3733 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6022 -0.6418 0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -0.5827 0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6726 0.0737 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4418 0.1508 -0.2047 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3797 -0.9884 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1760 -1.5217 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8310 -1.7037 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4996 1.3084 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9342 2.3249 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3777 -1.6077 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2444 -0.0243 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 1.1075 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5105 -0.5013 -1.3844 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