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
-2.0098 0.3468 1.6758 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3958 -0.3595 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 0.0183 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 -0.3134 -0.9262 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 0.1744 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4219 1.0303 0.8042 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1530 -0.2701 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 0.2181 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4634 -0.0551 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -1.4922 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9603 -0.3102 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 1.1634 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4963 -1.0102 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 0.9531 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0313 -0.0937 0.8393 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