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
2.3860 0.9351 1.6241 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1857 0.5516 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6108 -0.8146 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 -1.0171 0.2639 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7133 -0.2339 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 0.6349 -1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0597 -0.3400 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.4391 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6456 1.3779 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 0.5817 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -1.5950 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5743 -0.9616 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -1.0693 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7753 1.1713 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9956 0.3398 0.3157 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