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
2.7633 0.1616 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 -0.6280 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 -0.2067 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1294 1.0312 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9594 2.2760 1.0135 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4963 1.3071 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 0.3664 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9081 -0.8800 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -1.1572 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 -2.7589 -0.7025 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6353 1.1937 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8088 -0.2189 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0112 -1.6842 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8380 2.3085 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4582 0.5701 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5765 -1.6806 -0.7836 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