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
3.6461 -1.1318 0.7835 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8644 0.1714 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -0.2796 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3886 -0.8612 -1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3696 -0.0747 0.1257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 -0.4708 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8470 -0.0403 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8460 0.8155 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7288 1.0921 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4706 0.4643 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 0.0136 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 -1.5619 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6568 -0.4642 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9366 1.1757 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5390 1.1517 1.3153 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