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
-3.9447 -0.1835 0.0350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2706 0.2988 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 0.1607 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1149 0.4867 -0.6933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8058 -0.1158 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3194 -1.0391 0.8526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1941 0.2263 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9835 -0.4223 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9767 -0.3533 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 1.3749 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9144 0.8505 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6091 -0.8632 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6436 1.0091 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6159 -1.2283 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 -0.2015 1.1851 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