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
-3.9141 0.2910 0.3688 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1902 -0.1567 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5940 -0.3109 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2434 -0.6617 -0.7575 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 0.1106 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 1.1800 0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1442 -0.3015 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0883 0.4253 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1497 -1.1055 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7385 0.6997 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1923 -1.0506 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 0.6706 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 -1.2339 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 0.0727 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 1.3710 0.8460 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