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
-2.8668 0.1590 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 -0.3571 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4163 -0.1751 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 -1.2198 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 -1.0767 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 0.0895 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4505 1.1111 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0832 0.9754 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0349 2.4838 -0.6073 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1962 0.2644 -0.8010 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8777 -0.0594 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8332 0.8226 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0091 -1.0514 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0869 -2.1229 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5447 -1.8801 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8120 2.0368 -1.0245 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