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
-2.5825 -0.8810 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 0.2237 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 0.2202 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3062 1.2284 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6522 1.2274 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 0.2741 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 -0.7176 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1358 -0.7256 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8324 -2.1281 1.5837 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1763 0.3655 0.5882 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.1719 -1.8786 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6861 -0.8598 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4924 1.1509 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1867 1.9773 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2882 2.0006 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9932 -1.4772 1.5270 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