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
-2.2608 -1.7667 0.2741 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2657 -0.0572 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1115 0.2347 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1345 -0.0179 -0.5678 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6226 0.5975 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1148 1.4421 1.1203 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 0.2234 1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6740 -0.6760 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2051 0.0996 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2723 0.5691 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2009 1.2527 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2176 -0.4618 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3567 0.6765 1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6546 -0.9645 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 -1.1514 -0.4821 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