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
-4.0635 0.8863 -0.3922 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7510 0.0384 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4309 0.4018 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -0.2438 0.4506 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 0.0018 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 0.7787 -1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1203 -0.6084 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3013 -0.3574 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7717 0.3364 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8855 -1.0694 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 1.5137 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 0.1065 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0014 -1.2736 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3912 0.3144 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1617 -0.8255 0.5067 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