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
-2.6282 -0.5663 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8317 0.1051 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3944 0.0949 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2757 1.2356 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6791 2.6166 -1.0359 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 1.2424 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 0.1411 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7436 -0.9766 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3450 -0.9923 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3704 -2.4687 0.8980 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3342 -1.2935 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -0.4521 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3401 0.8178 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1459 2.1371 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4599 0.1974 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -1.8384 0.4641 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