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
-2.6123 0.9085 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6192 -0.1815 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 -1.4499 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 0.1979 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1070 1.3945 0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7270 -0.7902 0.3482 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0708 -0.4727 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6135 0.3513 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3221 0.7542 -0.3004 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1186 1.8011 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4973 0.6182 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8889 1.1793 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9902 -1.7314 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2424 -2.2460 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6268 -1.4400 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1366 0.0794 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0635 1.2901 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4911 -0.2628 -1.4891 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