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
-2.6792 1.4430 0.1727 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1128 0.1366 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5168 -0.9997 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4211 -0.6312 0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 -0.0994 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8408 0.0673 -1.0377 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8181 0.2464 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 0.7529 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4365 0.5602 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0129 -0.2877 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3275 -1.3197 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3530 -1.8943 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7146 0.0937 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0647 0.9175 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7393 1.0145 1.2796 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