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
1.8434 -1.6432 0.0196 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0802 -0.0208 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2797 -0.0504 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3479 0.2587 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0067 0.2447 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 0.7317 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4610 -0.3190 1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 0.5414 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3458 0.2569 0.1677 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