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
2.2057 2.1237 0.0351 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 0.6051 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 -0.4878 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1287 -0.0930 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 -0.8518 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5585 -1.9806 -0.8068 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2588 -0.4428 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6757 0.7302 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 0.2848 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0001 0.7881 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9367 -0.6209 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6198 -1.4319 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0025 -1.0869 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6927 1.0378 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 1.4262 0.4897 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