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
-2.7521 0.2658 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 -0.2586 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3929 -0.0667 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2221 1.0128 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 2.3702 0.9388 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6176 1.0514 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4290 0.0319 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 -1.0560 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 -1.0966 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 -2.4845 -1.3576 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5697 0.8999 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8249 0.0774 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1723 -0.9032 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0681 1.9220 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5130 0.0998 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 -1.8656 -0.8374 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