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
1.1069 -2.2534 -2.4101 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 -1.4268 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4889 -0.5714 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2114 0.0653 0.4861 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0997 -0.4612 -0.3427 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4425 0.3952 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 0.4698 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 1.6356 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9436 -0.8128 -1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8402 -2.1389 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0312 1.3717 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1651 -0.0746 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 -0.4265 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5363 1.7200 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8694 2.5079 0.2470 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