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
2.5338 1.9358 -0.6634 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 0.6646 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 -0.3926 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 0.2513 0.1865 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 -0.3977 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7856 -1.6304 -0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.3290 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 -0.2894 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3269 1.0473 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6446 0.2392 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5793 -1.2442 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 -0.7874 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0937 1.3789 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1756 0.2399 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 -1.3443 -0.6344 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