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
-2.1479 -1.8861 -1.1049 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1229 -0.4858 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.6952 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 0.4437 -1.3103 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6651 0.2520 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5118 0.3066 0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9865 -0.0156 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9955 -0.1957 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1828 -0.2633 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5030 -0.7171 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4476 0.8400 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6825 1.6402 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1402 -0.0664 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0015 -0.3983 -0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8678 -0.1493 0.8880 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