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
-1.1950 0.4216 -1.6400 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0879 0.0321 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3107 -0.1282 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3225 0.0196 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6226 0.7993 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6351 -0.9244 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -0.3695 1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1431 0.2605 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 -0.1110 0.1295 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