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
-2.8983 1.5727 0.3531 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7073 0.0187 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4818 -0.6824 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 0.1568 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 -0.1449 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -1.2440 0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 0.7632 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2471 0.4059 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 0.1379 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6227 -0.6294 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6175 -0.9467 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 -1.6612 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8694 1.7162 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4132 -0.5261 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0699 1.0633 0.1050 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