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
-2.7689 0.0076 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8181 -0.5165 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4280 -0.1765 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4807 -1.2193 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 -0.9959 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3018 0.2170 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4086 1.2311 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0515 1.0526 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0846 2.5175 0.5729 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1807 0.5081 0.1879 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7004 0.7371 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8274 -0.2998 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0773 -1.2556 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 -2.1827 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 -1.8121 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8558 2.1875 0.6151 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