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
1.0911 1.5484 -0.8726 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0344 0.2352 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2661 -0.4619 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2929 -0.1428 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3666 0.6058 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8063 -0.5243 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -1.2855 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1473 0.6893 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2176 -0.6643 -0.4062 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