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
2.7212 -0.6283 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 0.2352 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4598 0.1252 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -0.8547 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -0.8828 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3044 0.0416 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7812 1.0181 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4396 1.0539 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2662 2.4245 1.8282 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1655 -0.0268 -0.8183 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7935 -0.5445 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5164 -1.4630 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1956 1.0215 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 -1.5994 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7809 -1.6780 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 1.7578 0.8173 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