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
-2.7550 0.5805 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -0.1736 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.0988 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 -1.2457 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 -2.6983 -0.8559 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7625 -1.2657 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4226 -0.1229 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6930 1.0200 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 1.0181 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 2.5287 0.5222 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7953 0.3727 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6519 1.4038 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1436 -0.9801 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3346 -2.1676 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4932 -0.1149 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 1.9437 0.7424 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