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
3.0730 -1.4119 0.6298 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7693 -0.0467 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 0.6220 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 -0.2696 -0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 0.2215 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0028 1.4229 0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -0.5775 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -0.0844 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5689 0.7229 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6971 -0.4193 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3253 1.5287 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4839 0.9549 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0038 -1.6025 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3403 0.9478 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1689 -0.6637 0.3003 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