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
2.8133 -0.1998 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 0.4823 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3732 0.1700 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5605 1.2276 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 2.8510 -0.2560 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 1.0208 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -0.2368 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5439 -1.2891 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1595 -1.0940 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9043 -2.5006 -0.0204 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8431 0.1254 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7098 -1.1205 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0272 1.4274 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5570 1.8908 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4918 -0.4373 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9107 -2.3172 0.2189 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