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
3.4985 -0.9790 -1.3478 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6270 0.3504 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1861 -0.0154 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4581 -0.2548 -1.3647 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 -0.0935 0.8791 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7109 -0.4341 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6661 0.4789 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4957 -0.0099 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0456 0.5763 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7302 1.2547 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 -1.4717 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9726 -0.4546 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 1.5411 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 0.5905 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4722 -1.0788 -0.8074 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