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
-2.6690 1.4597 0.2887 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2711 -0.1804 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4291 -0.9001 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -0.2564 1.0984 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -0.0597 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 -0.4509 -1.0902 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 0.6226 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8702 0.8186 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 -0.1572 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2056 -0.7515 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 -0.9686 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1805 -1.9283 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1073 0.9477 1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 0.4883 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7791 1.3163 -0.1911 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