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
2.7238 0.4106 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8037 -0.4068 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 -0.1561 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 1.0610 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7714 2.4988 0.3450 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5979 1.2043 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 0.1153 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -1.1125 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -1.2819 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 -2.8538 -0.1388 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7728 0.0693 -0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5739 1.3977 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1902 -1.4062 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0269 2.2040 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4883 0.2402 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4794 -1.9838 -0.0774 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