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
2.7745 -0.4429 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 0.3228 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3748 0.1249 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4562 1.2495 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2695 2.8121 0.3989 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7928 1.1793 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3844 -0.0364 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5830 -1.1484 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 -1.0768 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6916 -2.5638 0.0246 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7880 -0.1761 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7103 -1.3349 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9721 1.2397 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4054 2.0666 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4338 -0.1034 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0535 -2.1122 -0.6103 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