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
-2.5582 1.6806 -0.1118 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2565 -0.0228 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 -0.7358 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3799 -0.1800 1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 -0.0975 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6256 -0.5489 -0.9115 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 0.4992 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0203 0.5650 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2083 -0.5775 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6317 -0.1469 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2696 -0.7168 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 -1.7838 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0996 0.8951 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9394 0.1778 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9579 0.9921 0.2010 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