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
-2.0312 1.3558 1.3222 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4058 0.3391 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5342 -0.8385 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 -0.6413 -0.5317 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 -0.1230 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4465 0.2424 1.4298 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1735 0.0335 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0653 0.5393 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5429 0.9045 -0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4433 -0.0826 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7323 -1.6351 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9527 -1.3282 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4523 -0.2740 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8490 0.8687 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0825 0.6394 0.3036 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