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
2.8115 -0.1765 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7538 0.5384 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3650 0.1667 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -1.1006 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9002 -2.4679 -0.3382 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 -1.3232 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4111 -0.2928 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9034 0.9855 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5536 1.2109 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0732 2.8559 0.0060 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8261 0.2038 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7562 -1.1666 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 1.5495 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8924 -2.3507 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4709 -0.4582 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5970 1.8257 0.3072 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