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
-2.8028 0.1539 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8388 -0.5940 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4385 -0.2706 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4651 -1.3135 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7995 -1.0249 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 0.2468 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4318 1.2865 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0568 1.0050 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0883 2.5323 -0.4522 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2171 0.5382 0.0104 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8291 -0.2172 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6073 1.0821 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 -1.5650 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0801 -2.3393 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5364 -1.8249 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8013 2.3046 -0.2648 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