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
2.7813 -0.5775 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8548 0.3270 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 0.1413 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0858 -0.9747 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4487 -1.0698 -0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2993 -0.0419 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7837 1.0787 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4296 1.1519 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2403 2.7438 1.3026 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1614 -0.2399 -0.7715 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 -1.5315 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8306 -0.4079 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 1.2479 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5944 -1.7725 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 -1.9569 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4659 1.8821 0.4757 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