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
-3.7913 0.3616 1.0529 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1174 0.6225 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6676 -0.5011 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -0.2933 -0.8536 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -0.2451 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -0.3968 1.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0579 -0.0190 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0713 0.0287 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 1.6055 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4352 0.7890 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6218 -1.4460 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 -0.7040 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2327 0.1089 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0749 0.1934 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -0.1043 1.4426 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