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
-2.0889 1.6491 1.0837 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2246 0.2258 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 -0.3216 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6465 -1.3441 -0.8937 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2668 0.2654 0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5366 -0.2375 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3160 0.1443 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8129 -0.5773 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6723 0.5214 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8903 -0.9741 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.8900 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3109 -0.2414 -0.9528 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