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
3.8011 -0.1961 0.1809 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 0.8999 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1366 0.1244 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7432 0.0595 1.5793 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 -0.5232 -0.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7646 -1.2551 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -0.5214 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.7660 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.7438 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2890 1.1838 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6292 -2.1693 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0737 -1.6671 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 -1.0851 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1002 1.4270 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9137 1.2128 0.6994 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