Monomers
Vinyl chloroacetate
Identifiers
IUPAC name
ethenyl 2-chloroacetate
InchI
InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
InchI Key
XJELOQYISYPGDX-UHFFFAOYSA-N
SMILES
ClCC(=O)OC=C
Canonical SMILES
C=COC(=O)CCl
Isomeric SMILES
C=COC(=O)CCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
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
12 11 0 0 0 0 0 0 0 0999 V2000
2.3216 1.7401 0.4643 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 0.0630 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 -0.4354 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4568 -1.5765 -0.3628 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 0.4237 0.4616 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 0.0358 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3682 0.1886 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6403 0.0206 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8435 -0.5486 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 -0.4174 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1236 0.6383 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3900 -0.1322 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 3
2 8 1 0
2 9 1 0
6 10 1 0
7 11 1 0
7 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers