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
2.7116 0.6361 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 -0.2438 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4712 -0.1608 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2360 -1.3725 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 -1.3586 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3404 -0.1893 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6613 1.0015 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2579 0.9883 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6332 2.6634 -0.2460 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2499 -0.2232 -0.0845 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8091 0.4817 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4239 1.5103 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4133 -1.0965 -0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 -2.3031 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1670 -2.2835 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1722 1.9500 -0.1631 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