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
-2.7168 -0.4855 0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 0.4700 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4726 0.1851 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 -1.0663 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4475 -1.2489 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -0.2000 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7221 1.0587 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3827 1.2390 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3662 2.9937 -0.3036 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1415 -0.4730 -0.8499 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3949 -1.5126 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7571 -0.1970 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2520 1.5058 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5028 -1.9186 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -2.2453 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 1.8948 -0.7654 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