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
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
2.7504 -0.4859 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7232 0.1429 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3603 0.0581 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4810 1.1351 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1622 2.5217 1.6955 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8026 1.1614 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 0.1151 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5407 -0.9490 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1946 -0.9788 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7419 -2.3989 -0.5853 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7257 -0.3259 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 -1.1418 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9189 0.8044 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4604 1.9984 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3983 0.1467 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.8036 -1.1160 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