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
2.7962 0.1717 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7312 0.5467 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3634 0.1494 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0532 -1.0410 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1423 -2.2580 -0.7945 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 -1.3384 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3990 -0.4486 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9796 0.7460 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6550 1.0567 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 2.5839 1.2242 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 -0.5319 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7732 0.5995 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9248 1.2841 1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6504 -2.3014 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4442 -0.6779 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 1.4592 0.6442 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