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
-3.9900 0.1254 0.2533 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 -0.5323 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 0.3412 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0509 -0.0543 -0.0887 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9483 0.6733 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5893 1.6656 -1.4088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3487 0.3234 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7232 -0.7178 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1904 -0.5348 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2754 -1.5550 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6775 0.2897 -1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5524 1.3989 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 0.9125 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0161 -1.3423 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7630 -0.9933 0.1332 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