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
-2.0636 1.5116 -1.4351 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2887 0.0675 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3666 0.1841 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0232 0.2759 0.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6867 -0.6737 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0648 -1.7042 -0.6697 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.5192 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7917 0.5544 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 -0.8749 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3386 0.0852 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 1.1034 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5804 -0.6741 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5557 -1.3211 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3641 1.3678 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8279 0.6174 -0.5959 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