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
2.0601 -1.2287 0.0249 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0078 0.1746 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1645 0.0552 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 -0.0566 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6823 0.0562 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 1.1353 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0801 0.0682 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 -0.1396 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 -0.0647 0.9664 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