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
-2.9872 0.9698 -1.1520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7997 0.1322 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4488 -0.5407 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3898 0.3650 0.2806 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -0.1404 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 -1.3850 0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 0.7129 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2962 0.2256 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6022 -0.6285 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 0.8722 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 -1.3705 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3319 -1.0025 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 1.7809 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1651 0.8424 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4287 -0.8333 0.2437 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