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
2.7623 0.0542 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7602 -0.6023 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3772 -0.1824 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0830 1.1028 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0596 2.4332 -0.1341 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 1.3747 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 0.3839 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 -0.9117 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6023 -1.1877 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0220 -2.8548 -0.1475 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7822 -0.3404 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6595 0.9922 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0089 -1.5705 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7538 2.4178 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4621 0.6359 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6616 -1.7447 -0.0746 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