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
-2.5829 0.7853 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8361 -0.0103 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3870 -0.0527 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2241 -1.2607 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 -2.6190 -0.8220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 -1.4098 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3695 -0.3348 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7992 0.8746 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4064 1.0184 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2395 2.5773 0.6613 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.6773 0.7079 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2544 1.5372 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4024 -0.7241 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9730 -2.3805 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4510 -0.4380 -0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4020 1.7291 0.3678 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