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
3.2963 1.2552 -0.2611 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -0.3867 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1972 -0.3293 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 -1.3385 0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5798 0.8992 0.2957 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8149 0.9832 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6454 0.3670 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4692 -0.6483 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8615 -0.9228 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1547 -0.9094 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9558 0.3649 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 2.0231 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5732 0.7723 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0578 -1.0715 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5478 -1.0584 0.7164 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