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
2.7603 -0.5391 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8144 0.3533 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 0.1376 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4124 1.2420 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3380 2.7978 -0.6885 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7702 1.1606 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 -0.0195 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6695 -1.1169 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2743 -1.0350 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6466 -2.4573 0.6067 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8174 -0.2083 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6795 -1.5883 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1480 1.4038 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3949 2.0315 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5308 -0.0843 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1174 -2.0779 0.3104 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