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
1.9971 0.2220 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6664 0.1713 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6438 0.2756 -1.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3178 0.0128 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0568 -0.0279 -2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7084 -0.0967 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0744 -0.2563 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8395 -0.3321 0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6102 1.1340 1.9172 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9403 -0.3275 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1104 1.2568 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2171 -0.3106 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6817 0.3974 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3918 0.2374 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3828 0.6005 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1345 -1.2293 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 -1.1860 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8937 -0.5413 0.7253 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