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
-1.5545 1.2017 1.1379 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 -0.2977 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4259 -0.4067 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2301 0.5483 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 -0.3678 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4129 -1.1829 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 -1.3136 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7833 1.4203 1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2945 0.3984 0.5254 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