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
-2.6491 0.3254 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8115 -0.3645 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 -0.1571 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1972 1.0397 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7183 2.5344 0.3475 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5793 1.1940 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3838 0.0968 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -1.1236 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4409 -1.2547 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -2.7797 -0.7344 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 1.1032 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7283 0.1085 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2504 -1.1282 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0125 2.1730 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4655 0.2301 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 -1.9972 -0.4562 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