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
-1.8889 1.4830 0.1375 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0651 -0.0432 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2411 -0.0070 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3744 -0.1113 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 -0.2444 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6536 -0.8796 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2454 0.1074 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3061 -0.0809 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3555 -0.2240 -1.2294 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