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
1.6381 -2.2630 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 -1.0835 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 -0.1995 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 0.6244 1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2581 1.5294 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 1.6412 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9064 0.8457 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 -0.0829 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -1.1365 -2.3520 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.8824 2.9065 -1.1688 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4164 -2.8786 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -2.7330 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9273 -0.7877 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 0.5295 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7993 2.1798 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1158 0.9082 -2.5187 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