Monomers
Allyl chloroacetate
Identifiers
IUPAC name
prop-2-enyl 2-chloroacetate
InchI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InchI Key
VMBJJCDVORDOCF-UHFFFAOYSA-N
SMILES
ClCC(=O)OCC=C
Canonical SMILES
C=CCOC(=O)CCl
Isomeric SMILES
C=CCOC(=O)CCl
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
3.3427 1.6401 -0.6982 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 0.7180 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1828 0.0945 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9066 0.2136 -1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3653 -0.6508 0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7908 -1.3109 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8915 -0.4954 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9181 0.8063 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9703 1.3383 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9603 -0.0919 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5877 -2.1581 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1797 -1.8366 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7934 -1.0603 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 1.4900 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8170 1.3031 -0.8097 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 1 0
7 8 2 3
2 9 1 0
2 10 1 0
6 11 1 0
6 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