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
2.4070 0.0323 -0.6008 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.9815 -0.1784 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2636 -0.3553 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2989 0.4609 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1118 -1.0616 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 0.7148 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -1.2189 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 1.3073 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 0.2989 -0.8517 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