Monomers
2,5-Dichlorostyrene
Identifiers
IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)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
2.6964 0.5068 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6850 -0.3134 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 -0.1456 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6853 -0.8311 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 -0.7751 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2997 -1.6382 1.0819 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 0.0140 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 0.7097 -1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0886 0.6196 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3856 1.4831 -1.7345 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 0.1981 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 1.4816 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 -1.2554 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4552 -1.4423 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2364 0.0579 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 1.3304 -2.2806 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
5 6 1 0
5 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
4 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers