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
2.7686 -0.4592 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8044 0.3908 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3780 0.1750 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4429 1.2781 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2337 2.8976 -0.2716 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 1.1351 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4044 -0.0926 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6307 -1.2086 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2396 -1.0380 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 -2.5095 0.3928 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 -0.0843 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7298 -1.5033 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 1.4363 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4751 1.9951 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 -0.2146 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0666 -2.1978 0.2013 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