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
-3.8443 0.5454 0.6487 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 0.5188 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5744 -0.8110 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 -0.9316 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 -0.0910 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5861 0.8795 0.8827 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0717 -0.3476 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0750 0.4581 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 1.3749 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3230 0.5825 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2068 -1.6121 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 -0.9672 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1693 -1.2017 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 1.2836 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0585 0.3194 -0.6662 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