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
2.2167 0.9306 -0.2691 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0174 -0.3900 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2974 0.2043 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3476 0.1986 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -1.1274 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 -0.8648 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.6721 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2587 -0.2661 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 0.6428 -0.0695 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