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
-1.3877 -1.5094 -0.3738 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0993 0.2087 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3460 0.5116 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2851 -0.4212 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 0.8470 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6049 0.4582 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 1.5465 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3337 -0.1929 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 -1.4485 -0.1473 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