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
-2.8079 0.4672 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8510 -0.3113 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4469 -0.1483 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3503 -1.3141 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6855 -1.2783 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3289 -0.0824 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 1.0689 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.0188 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 2.6731 0.0884 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2101 -0.0542 -0.7861 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7407 1.3398 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8368 0.2213 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 -1.1833 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1318 -2.2624 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2712 -2.1904 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0516 2.0356 -0.4977 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