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
2.2393 0.0885 -0.9809 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 -0.0579 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2880 0.4776 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 -0.2674 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9448 -1.1316 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 0.5577 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3428 1.5184 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 0.1164 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 -1.3018 0.1284 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