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
2.8235 -0.3400 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8798 0.5764 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 0.2324 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 -1.0477 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3827 -1.3444 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 -0.3336 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 0.9544 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4988 1.2505 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1153 3.0452 0.0641 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1790 -0.7235 -0.3010 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5776 -1.3769 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8663 -0.0331 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1740 1.6403 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 -1.8841 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7438 -2.3609 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5860 1.7452 -0.1457 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