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
2.6486 -0.3428 -1.4950 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2311 0.0408 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8759 -0.4775 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -1.6374 0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2249 0.3440 0.3477 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 -0.1492 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 0.6570 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9848 -0.3295 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 1.1622 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5901 -1.1748 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4835 0.2663 0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 1.6411 0.1802 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