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
-1.9109 1.6543 1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7566 0.4627 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4431 -0.0294 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7070 0.2451 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 1.1885 2.2772 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9433 -0.2199 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 -0.9914 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8810 -1.2837 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3377 -0.8241 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 -1.1938 -1.9183 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 2.0361 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 2.3395 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 -0.1791 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8287 0.0442 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9657 -1.3669 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9178 -1.8821 -2.3629 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