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
-2.6904 -0.9694 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9301 0.0648 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4870 0.1097 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2537 -0.9588 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6404 -0.8937 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3274 0.2555 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 1.3274 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2236 1.2666 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7876 2.7656 -1.0405 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2228 0.3146 0.3544 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7642 -0.9712 -0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2439 -1.8801 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.9552 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2570 -1.8776 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -1.7596 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 2.2512 -0.5425 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