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
2.8509 -0.0217 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7557 0.1507 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4057 0.0629 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 -0.3870 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9307 -0.4794 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3115 -0.1338 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 0.3065 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 0.4006 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2846 1.0733 2.1995 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1213 -0.2521 1.0838 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 0.0707 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 -0.2781 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8929 0.3879 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 -0.6597 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6885 -0.8327 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5921 0.5920 2.3856 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