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
-2.8168 1.8011 -0.9059 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7516 0.0372 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5251 -0.2577 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3349 0.1068 -0.4519 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 -0.0992 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 -0.6158 1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 0.2568 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2876 0.0321 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6343 -0.1725 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8502 -0.5384 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4606 -1.3739 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 0.2595 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1978 0.7009 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2470 0.2730 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2980 -0.4097 1.1053 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