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
-1.8752 2.2319 0.4571 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 0.4987 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4841 -0.2844 -0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 -0.1263 -0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 -0.4811 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1768 -0.9376 1.4709 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -0.3476 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 0.1310 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8538 0.1838 1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2288 0.3041 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8108 -1.3467 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 0.1272 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -0.6289 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1024 0.4304 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7811 0.2454 -0.7710 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