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
-3.6909 1.2557 0.5314 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2554 0.2930 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0536 1.1714 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1598 0.5624 -0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -0.5670 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 -1.1324 1.4152 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 -1.1592 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6686 -0.6006 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1570 -0.5896 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3661 -0.0568 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1668 2.0749 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0820 1.5516 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3251 -2.0494 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6087 -1.0488 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3791 0.2946 -1.3525 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