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
-1.8997 0.3972 2.4637 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5713 -0.1911 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 -0.3380 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8571 -0.7474 -1.2465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1973 -0.0420 0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -0.1954 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 0.1770 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4015 0.6035 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3656 0.5256 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0811 -1.1687 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4984 0.5288 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -1.2019 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9275 0.0861 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4112 0.8602 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 0.7061 1.5228 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