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
-2.4608 1.9447 -0.8370 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4346 0.5542 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 -0.4910 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1155 0.0113 -0.1976 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 -0.8267 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 -2.0116 -0.8441 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 -0.3658 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6716 0.8623 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4359 0.0780 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2059 0.8418 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -0.9879 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4832 -1.2974 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0688 -1.0754 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7136 1.1291 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9762 1.6344 -0.0125 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