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
-2.7012 0.4570 -2.0670 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7362 -0.1905 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 0.3046 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 -0.1722 -0.3524 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9029 0.0957 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0309 0.7851 1.1232 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0606 -0.3931 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2695 -0.1096 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6761 0.0819 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7213 -1.2959 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 1.4110 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 -0.0291 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9109 -0.9779 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1689 -0.4454 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 0.4785 0.6899 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