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
2.2039 0.1892 -1.0881 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0027 0.2538 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1920 -0.5400 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 0.0388 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 1.2887 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4946 -0.2007 1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1423 -1.6170 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 -0.5155 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 1.1028 0.0489 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