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
3.7596 -0.4871 -0.9743 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1918 -0.1063 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0674 -0.8697 -0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1271 -0.5396 -0.2382 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 0.6924 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1216 1.6623 -0.6983 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9886 0.8837 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6134 -0.1002 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0117 0.9804 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3055 -0.4250 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2798 -1.9564 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 -0.5769 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.8745 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5444 0.0701 1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2289 -1.1022 1.1185 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