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
2.6635 0.7829 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9293 0.0803 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -0.0320 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2943 0.6035 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6843 0.4685 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3272 -0.3038 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5473 -0.9446 -1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1736 -0.8066 -1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9068 -1.7021 -2.3488 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2393 -0.4906 -0.1226 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1674 1.3319 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7459 0.8385 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4911 -0.4582 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1859 1.2213 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 0.9756 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0299 -1.5645 -1.8061 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