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
-3.7986 1.0182 0.3244 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 0.6877 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 -0.6127 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.9778 0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 -0.1876 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 0.8720 -0.7158 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0958 -0.5742 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0986 0.1723 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4818 1.5616 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 0.6650 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2928 -1.4023 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9528 -0.6798 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3057 -1.4921 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8789 1.1037 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1061 -0.1539 -0.0546 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