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
-2.7769 -0.6075 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9034 0.3606 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 0.1724 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -1.0258 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4922 -1.1621 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3392 -0.0861 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7593 1.1222 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 1.2594 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3846 2.9500 0.6839 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2294 -0.2470 -0.4960 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8460 -0.4603 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 -1.5892 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2938 1.3440 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5282 -1.8883 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -2.1266 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4245 1.9843 0.1796 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