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
-2.0593 -0.7289 1.0625 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0551 0.1939 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 -0.4642 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 0.1616 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9739 1.2296 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5732 0.1888 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3129 -1.4880 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3244 1.1884 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 -0.2812 0.0472 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