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
2.6970 -0.0314 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7160 0.7481 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3361 0.3001 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6798 1.1714 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2460 2.7795 0.8261 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9802 0.7605 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2886 -0.5105 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3305 -1.3923 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0019 -0.9614 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 -2.1479 -0.9839 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6004 -1.0499 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 0.3335 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9701 1.7844 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 1.4588 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3343 -0.8329 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5797 -2.4101 -0.7517 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