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
2.6862 -0.6527 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 0.1898 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3911 0.1014 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3277 -1.0474 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5012 -2.6096 -0.0409 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7132 -1.0147 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 0.1614 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 1.3123 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 1.3039 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5741 2.7986 -0.3867 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4838 -1.5343 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7755 -0.4905 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 1.0441 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -1.9775 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 0.1380 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2062 2.2774 0.0417 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