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
-2.2789 1.1235 2.1471 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 0.6493 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5650 -0.3009 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3120 0.3529 0.0846 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8507 -0.3102 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7129 -1.5139 -0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1555 0.3333 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2157 -0.3410 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6392 0.1520 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7243 1.5533 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5661 -1.1559 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -0.6604 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 1.3458 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1758 0.1239 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -1.3517 -0.8961 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