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
-3.9138 -0.5844 -0.7576 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 -0.9537 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 0.2934 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0883 -0.0134 -0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8317 0.9322 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3595 2.0690 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2626 0.6747 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7090 -0.5236 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -1.8317 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7966 -1.1672 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 1.1180 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 0.5725 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 1.4506 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7635 -0.7167 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0749 -1.3197 -0.3203 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