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
-2.7216 0.1741 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6761 0.7591 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3512 0.2273 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 1.1578 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2725 2.8551 0.0071 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0019 0.7321 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3413 -0.6044 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3102 -1.5043 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0328 -1.1039 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2856 -2.3156 -0.3090 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 -0.7481 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7095 0.6283 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 1.7172 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8024 1.4624 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3836 -0.8750 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5075 -2.5622 -0.0445 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