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
-3.9024 0.2414 -0.6029 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2332 0.5351 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6258 -0.7406 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2936 -0.6013 0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7677 -0.1731 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5324 0.1149 -1.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1285 -0.0509 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0871 0.3617 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2350 1.2834 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6436 0.9199 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1937 -1.1797 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7174 -1.4879 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3778 -0.2875 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8571 0.6074 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0940 0.4572 0.1944 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