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
1.1017 -1.5849 -0.5821 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 0.0196 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2877 0.5455 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3028 -0.1834 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7630 0.7294 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5049 -0.0810 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4624 1.5298 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3153 0.1891 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 -1.1642 -0.6817 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