Monomers
2-Chloroethyl acrylate
Identifiers
IUPAC name
2-chloroethyl prop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InchI Key
WHBAYNMEIXUTJV-UHFFFAOYSA-N
SMILES
ClCCOC(=O)C=C
Canonical SMILES
C=CC(=O)OCCCl
Isomeric SMILES
C=CC(=O)OCCCl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
0.9544
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
15 14 0 0 0 0 0 0 0 0999 V2000
-3.9132 -0.3102 -0.0304 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -0.1788 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5075 0.9063 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1518 1.0902 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7491 0.0821 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -1.0255 0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1718 0.1990 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9530 -0.8202 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.1740 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 0.0390 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0318 1.8874 0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 0.6467 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 1.1405 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 -1.7381 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0008 -0.7444 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
2 9 1 0
2 10 1 0
3 11 1 0
3 12 1 0
7 13 1 0
8 14 1 0
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers