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
2.2556 0.7994 0.1614 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.9829 -0.3693 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2267 -0.0009 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3613 0.3481 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 -1.3719 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8044 -0.3556 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 -0.0419 1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1999 0.6032 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4854 0.3890 -1.1008 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