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
2.7731 -0.6722 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9217 0.3263 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4737 0.1651 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1479 -1.0392 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 -1.1629 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 -0.0501 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 1.1722 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3421 1.2941 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5068 2.9997 0.1820 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 -0.1831 0.0943 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8524 -0.4899 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3916 -1.6659 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3502 1.3363 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 -1.9464 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9863 -2.1470 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3397 2.0630 0.1924 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