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
-1.7091 1.4828 1.6918 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3054 0.7937 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5050 -0.4941 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -0.1319 -0.1469 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8965 -0.9970 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6353 -2.2195 -0.4697 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 -0.5173 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5344 0.7641 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3742 0.5705 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0663 1.5209 -0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7511 -1.1473 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8238 -1.0105 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0691 -1.1964 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5513 1.0972 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 1.4849 -0.1026 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