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
2.4081 -0.5219 0.1013 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.9548 0.4341 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 -0.0482 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2854 -0.4486 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0856 1.5092 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7628 0.3920 -1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2481 -0.0855 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 -0.4174 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1804 -0.8138 0.4119 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