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
2.7951 -0.4992 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 0.3684 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.1444 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0853 -0.9707 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 -1.0834 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3403 -0.1141 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7808 1.0052 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 1.1246 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3390 2.6996 -1.3535 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2435 -0.3110 0.2893 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 -1.4070 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8741 -0.3017 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2740 1.2875 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5519 -1.7629 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9032 -1.9653 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4333 1.7857 -0.8110 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