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
2.0573 0.6944 1.0557 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0592 -0.2511 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 0.4970 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 -0.1103 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8753 -1.2713 0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 -0.3445 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2362 1.4976 -0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3049 0.4163 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4008 -1.1282 0.4821 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