Monomers
2,4-Dibromostyrene
Identifiers
IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
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
-2.6864 -0.7904 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9281 0.1814 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4886 0.1118 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2463 -0.9557 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6510 -0.9579 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3336 0.1200 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6115 1.1977 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 1.2016 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 2.7021 -1.1350 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2406 0.1362 -0.2178 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7699 -0.7036 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2159 -1.6849 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 1.0586 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2695 -1.8273 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 -1.8403 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 2.0505 -0.9629 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 2 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers