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
-1.1867 -1.6148 0.5098 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0264 0.1536 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3011 0.5539 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2124 -0.3507 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1686 0.5935 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7866 0.4858 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5207 1.5825 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 -0.0101 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9618 -1.3936 -0.2798 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