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
-2.8122 -1.8533 -0.3656 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6972 -0.1995 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3675 0.4032 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 1.5459 0.3282 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4566 -0.3562 -0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8288 0.0541 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5828 0.3786 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 -0.2591 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8191 -0.2875 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5282 0.4047 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3271 -0.8310 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8547 0.8795 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1899 1.1648 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0545 -1.0287 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 -0.0156 1.3896 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