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
-1.8799 -1.6030 -1.4403 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2615 -0.2048 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2480 0.8893 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0642 0.4778 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5557 0.0451 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 0.0053 1.7802 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 -0.3725 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8128 -0.3515 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 0.1180 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2708 -0.5062 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 1.8153 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3099 1.0809 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2903 -0.7085 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8389 -0.6569 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5309 -0.0282 -0.9784 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