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
-1.9739 1.3942 -0.0163 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0506 -0.1308 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2101 0.0206 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3969 -0.0301 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 -0.3393 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6215 -0.9906 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1305 0.1808 1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 -0.1880 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2943 0.0831 0.5271 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