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
-2.2190 1.0311 0.1714 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0076 -0.1388 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -0.1440 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4024 0.1386 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3832 -1.1587 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7159 0.1756 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -0.4020 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5435 0.3841 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2143 0.1140 0.8083 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