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
0.7916 0.8893 -2.1264 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -0.2550 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0978 0.4104 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 -0.0565 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1157 -1.1574 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7048 -0.6159 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5792 1.2828 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4943 -0.9095 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 0.4117 1.7673 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