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
-2.8398 0.3218 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7724 -0.2328 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 -0.1378 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 -1.1846 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8023 -1.1496 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2972 -0.0587 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4384 0.9699 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0842 0.9411 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9756 2.4858 -0.8254 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 0.0050 -0.9799 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.9153 0.9724 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8298 0.1315 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9396 -0.8742 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 -2.0712 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4883 -1.9629 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8174 1.8444 -1.2830 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