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
-1.9843 2.2418 0.9229 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4292 0.7004 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3764 -0.3418 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1088 0.0293 -0.0234 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 -0.8590 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7401 -1.9372 0.8109 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -0.5548 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5358 0.5556 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3915 0.3039 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5652 0.8063 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7045 -1.3037 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2561 -0.4847 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1024 -1.2354 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4957 0.8331 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 1.2464 -1.1165 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