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
3.2078 -1.5126 1.3531 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6687 -0.4704 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2197 -0.0928 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 -0.5145 1.1895 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5681 0.7218 -0.6926 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 1.0865 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -0.0964 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4614 -0.3552 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7558 -1.0365 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2446 0.4831 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 1.6824 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0136 1.7792 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7317 -0.7722 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1230 -1.2060 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4379 0.3034 1.3444 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