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
-2.6838 -0.7589 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8267 0.1003 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 0.0748 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3578 -1.0427 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3587 -2.6490 0.0208 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 -0.9481 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 0.2563 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6379 1.3823 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2935 1.3003 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6627 2.7423 0.4630 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3695 -1.5783 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7611 -0.6903 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 0.9089 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3048 -1.8360 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4415 0.3715 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1307 2.3666 -0.1153 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