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
-3.7832 0.0820 -0.9478 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1157 -0.4457 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 0.3573 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 0.0545 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7512 0.1909 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 0.6116 -0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -0.1502 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1373 -0.0335 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 -1.5154 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5217 -0.3131 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 0.1749 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7725 1.4505 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1131 -0.5108 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 0.3211 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1213 -0.2742 0.4519 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