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
2.5979 0.6751 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8415 -0.0571 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3900 -0.0524 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 1.0143 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3369 2.5728 0.5582 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7720 0.9418 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 -0.2535 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5965 -1.3347 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 -1.2757 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7248 -2.6707 -0.9661 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6939 0.6013 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 1.3171 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3567 -0.7034 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3015 1.8185 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4406 -0.3137 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 -2.2796 -0.6389 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