Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Cl2
Heavy Atom Count
10
Molecular Weight
173.042
Exact Molecular Weight
171.9847
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.6364
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.8000 -0.1305 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 0.5531 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 0.1930 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1348 -1.0840 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 -2.4364 -0.3757 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4964 -1.3484 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4034 -0.3270 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 0.9560 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 1.2254 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 2.8709 0.0025 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 -1.0875 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8308 0.2388 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9684 1.5286 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 -2.3943 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4584 -0.5242 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6320 1.7665 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers