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
-3.9264 0.2870 0.6800 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4343 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5776 -0.9021 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 -0.8878 -0.2637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7661 -0.1245 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4792 0.6104 1.2748 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1374 -0.1289 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0706 0.6031 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6976 1.1613 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3179 0.7868 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 -1.7056 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5751 -1.1805 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3718 -0.7647 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0710 0.5781 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 1.2332 1.2013 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