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
2.6959 -0.3544 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7177 0.4255 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 0.1899 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 -1.0716 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7397 -2.5486 -0.3777 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5132 -1.2605 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2976 -0.1476 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 1.1311 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4973 1.2942 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2156 2.8897 -0.1979 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7219 -0.0743 -0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5633 -1.2286 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0029 1.3090 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9210 -2.2524 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3266 -0.2770 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 1.9755 0.5584 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