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
-2.8191 0.3139 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 -0.3462 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -0.1642 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3608 -1.2890 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -1.1850 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3608 0.0295 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 1.1219 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1443 1.0291 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8662 2.6256 0.0375 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2629 0.1371 0.3360 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8529 0.0378 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6193 1.1257 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -1.1994 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0998 -2.2808 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -2.0508 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0030 2.0948 0.0698 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