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
2.2073 0.7422 0.6668 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.3051 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2771 -0.1236 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3362 0.3133 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9441 0.0705 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 -1.3576 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -0.3496 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2323 0.5461 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3065 0.4638 0.2508 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