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
-1.9877 2.0586 -0.4526 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2570 0.3158 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3973 -0.1882 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0349 -0.0151 0.7494 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6922 -0.5694 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0560 -1.2814 -1.1064 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1391 -0.3331 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 0.4206 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -0.2302 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3283 0.2042 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 0.2869 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6866 -1.2743 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -0.8068 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8507 0.5568 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2368 0.8556 1.2381 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