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
1.9190 1.4007 -0.6234 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.8514 0.4687 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -0.5004 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2853 -0.4125 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2138 1.1915 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 -0.1371 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4816 -1.2707 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8984 -1.0948 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.3546 0.3177 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