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
-2.6309 -0.6885 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9400 0.1884 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4948 0.1107 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2605 -0.8634 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6568 -0.8775 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 0.0888 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5794 1.0779 -0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1997 1.0569 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 2.4192 -1.6246 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2038 0.0867 -0.4379 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 -1.5055 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7158 -0.6318 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4701 0.9782 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 -1.6378 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1909 -1.6580 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0669 1.8557 -1.4876 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