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
-2.8132 0.0004 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8673 -0.2643 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -0.0924 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4080 -0.9815 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 -0.8768 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 0.0862 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 0.9623 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1584 0.8546 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9455 2.1402 1.4808 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 0.2236 0.1949 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8728 -0.1724 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 0.3679 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2204 -0.6639 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 -1.7513 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 -1.5820 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9556 1.7495 1.3286 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