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
-2.1411 0.9289 1.9778 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2763 0.0128 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 -1.0361 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0889 -0.5829 0.4632 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 0.2808 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1714 0.6215 -1.3935 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9956 0.7623 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8051 0.3885 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2605 -0.5387 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3439 0.6455 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 -1.7181 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 -1.6834 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 1.4334 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8283 0.7645 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4542 -0.2789 1.3020 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