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
-2.7646 -1.5223 0.9303 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 -0.2314 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 0.6272 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3842 -0.2343 -0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 0.2508 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0457 1.4709 0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0583 -0.6493 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2728 -0.1795 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7538 -0.7262 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6615 0.3924 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4760 0.9525 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4833 1.4861 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8910 -1.6753 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4753 0.8663 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1139 -0.8280 -0.3382 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