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
-1.8684 0.2190 -2.4035 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3817 0.3988 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4884 -0.4606 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1429 -0.0073 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -0.6158 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5941 -1.5660 1.4591 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2694 -0.1813 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6274 0.8089 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4256 0.0564 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2718 1.4527 -0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5727 -1.5287 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -0.3641 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0380 -0.6845 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8692 1.3253 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6437 1.1473 -0.3579 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