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
2.6897 -0.8211 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9305 0.2346 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4938 0.1498 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1746 -1.0092 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5604 -1.0538 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3219 0.0866 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6772 1.2587 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 1.2899 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5869 2.9285 0.6800 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2162 0.0294 -0.5359 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 -0.7341 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3502 -1.8072 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 1.1903 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3840 -1.9314 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 -1.9817 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2464 2.1708 0.1594 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