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
0.7135 -1.7755 -0.6423 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 -0.2618 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1568 0.5855 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2509 0.1870 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 0.2605 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2916 -0.5556 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1847 1.5647 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2526 -0.7830 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1471 0.7781 -0.5324 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