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
-1.3827 1.3503 0.7350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0833 -0.0981 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 -0.4466 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2642 0.2540 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4317 0.0709 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 -0.9261 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 -1.3076 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 -0.0207 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9386 1.1240 0.9616 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