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
2.1575 0.4264 0.9960 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0287 -0.2260 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3021 -0.3024 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3168 0.3758 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0186 0.5028 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3667 -1.1906 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5113 -0.8949 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1160 0.9701 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 0.3387 0.3384 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