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
-3.0081 -1.4071 0.7899 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7304 0.2479 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 0.2378 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0892 -0.2216 -1.5896 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3293 0.8211 0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 0.8237 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -0.5486 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 -0.9117 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 0.9155 1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5532 0.5871 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9985 1.3749 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6383 1.3543 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9458 -1.2492 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 -1.8648 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 -0.1592 0.7284 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