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
-2.6784 1.0571 1.9471 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6665 0.7729 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5258 -0.1446 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 0.4215 0.1521 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8646 -0.3070 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7537 -1.4207 -0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1781 0.1734 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2258 -0.5356 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 0.2337 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5904 1.7572 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7175 -1.1204 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5830 -0.2948 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2916 1.1161 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1127 -1.4898 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2397 -0.2190 0.0891 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