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
-2.0125 1.2302 -0.6548 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 -0.0578 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2808 -0.1820 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3636 0.0113 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9697 0.2457 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6246 -1.0131 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3771 -0.4261 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2717 0.2555 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 -0.0639 -0.1882 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