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
2.7448 -0.5840 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8174 0.2829 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3883 0.1506 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 -1.0331 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5965 -2.5210 -0.5340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -1.0945 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4208 0.0311 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7551 1.2313 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3890 1.2983 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4826 2.8290 0.2219 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8116 -0.3715 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5203 -1.5517 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1751 1.2616 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -2.0522 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5192 -0.0104 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3342 2.1337 0.3998 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