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
-1.1215 1.2068 -1.2795 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1182 0.0061 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 -0.4048 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3405 0.0933 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7665 -0.8753 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.4781 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3715 -1.1437 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2942 0.8447 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3369 -0.2051 0.1458 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