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
2.0262 -0.5640 -1.1704 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.9862 0.3563 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1485 -0.4616 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3702 -0.0686 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5412 0.6849 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6162 1.2669 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 -1.3518 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5703 0.8314 -0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1955 -0.6935 0.5637 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