Monomers
Allyl chloride
Identifiers
IUPAC name
3-chloroprop-1-ene
InchI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
InchI Key
OSDWBNJEKMUWAV-UHFFFAOYSA-N
SMILES
ClCC=C
Canonical SMILES
C=CCCl
Isomeric SMILES
C=CCCl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H5Cl
Heavy Atom Count
4
Molecular Weight
76.526
Exact Molecular Weight
76.008
Valence Electrons
24
Radical Electrons
0
tPSA
0.0
MolLogP
1.4112
H Bond Acceptors
0
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
9 8 0 0 0 0 0 0 0 0999 V2000
-0.7889 -1.7181 -0.7855 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -0.1074 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 0.5750 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3051 -0.0569 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7596 -0.1785 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5751 0.5608 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1806 1.5749 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 -1.0364 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2447 0.3867 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
2 5 1 0
2 6 1 0
3 7 1 0
4 8 1 0
4 9 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers