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
-2.0165 -2.0315 0.0264 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2280 -0.2547 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3545 0.4637 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0013 0.1631 0.6194 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6577 0.4395 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 0.9882 -1.4918 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0816 0.1014 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7266 -0.4739 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 0.0004 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0616 0.0403 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6188 0.1160 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5176 1.5513 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 0.3313 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2757 -0.7126 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7767 -0.7226 0.1263 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