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
-2.0871 0.6388 -1.0022 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -0.1585 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2928 0.4889 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -0.2610 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4227 0.0614 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9806 -1.2450 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 1.5483 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2353 -1.3256 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3111 0.2528 -0.2810 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