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
-1.3053 -1.4574 -0.4081 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0745 0.2400 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 0.5168 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2456 -0.4391 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 0.3725 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6217 0.9129 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7687 1.5047 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8638 -1.4168 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -0.2335 -0.0498 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