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
-2.2642 -1.8453 -0.0842 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 -0.2284 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3838 0.7653 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0281 0.5342 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7163 -0.4388 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1564 -1.3313 -1.2679 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 -0.5085 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8054 0.4073 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3627 0.1075 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0469 -0.3256 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6572 1.7910 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7096 0.8444 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7433 -1.3218 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8710 0.3441 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2679 1.2060 0.7174 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