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
-2.7760 0.1873 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 0.7387 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3590 0.2233 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 1.1432 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 2.8507 0.0273 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0120 0.7402 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 -0.5891 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3307 -1.4868 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0207 -1.1023 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 -2.3240 0.1840 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7629 -0.7631 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7514 0.6552 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8209 1.7434 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8287 1.4676 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3858 -0.9376 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5292 -2.5467 0.0716 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