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
0.6966 1.3402 1.3341 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -0.0136 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 -0.4611 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2861 0.1673 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7824 0.3335 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5012 -0.8834 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -1.2915 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 0.9852 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 -0.1766 -0.6811 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