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
3.5896 1.5678 0.1670 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 0.1258 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -0.3187 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -0.9796 1.2079 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3443 -0.0082 -0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -0.4633 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0576 -0.1458 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 0.5996 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5998 0.4201 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5768 -0.6772 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6547 -1.5217 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6769 0.1083 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2575 -0.5599 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9482 0.8033 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8925 1.0496 1.2986 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