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
-3.7844 -1.0041 -0.1419 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0894 -0.8285 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6803 0.5836 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3836 0.9218 0.5095 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 0.2554 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 -0.6705 -0.8408 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0727 0.6095 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 -0.0399 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -1.5994 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 -0.9688 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 1.2440 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8428 0.7359 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 1.3981 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 0.1882 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9265 -0.8252 -0.8245 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