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
-2.6013 0.8023 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7642 0.0427 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.0346 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3507 1.0148 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3292 2.6089 0.5041 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 0.8630 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2807 -0.3659 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5943 -1.4471 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2657 -1.2874 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6593 -2.6355 -1.0837 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3668 1.4539 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6638 0.7795 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1498 -0.5722 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 1.7155 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -0.5169 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0782 -2.4210 -0.2906 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