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
-3.8190 0.2651 -1.1794 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0454 0.4174 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -0.1125 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 0.0327 0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -0.5663 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 -1.3131 -1.5687 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 -0.3413 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 0.4385 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6443 -0.1549 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7290 1.4762 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 -1.1948 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 0.3707 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8224 -0.8541 -1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 0.9434 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7794 0.5929 0.3991 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