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
-2.6531 -0.4198 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8203 0.3965 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 0.1845 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4594 1.3121 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 2.9029 0.1993 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8209 1.1406 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3664 -0.1203 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 -1.2185 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 -1.0547 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 -2.4800 -0.4330 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3269 -1.2919 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7292 -0.1905 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 1.2680 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4559 2.0209 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4546 -0.2296 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9643 -2.2202 -0.3237 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