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
-2.7895 -0.5614 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 0.1814 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4451 0.0973 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0441 -0.7654 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4118 -0.7773 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3099 0.0524 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8185 0.9160 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 0.9251 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1699 2.1358 2.1471 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1656 -0.0033 -0.8615 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5971 -1.2976 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 -0.4770 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1641 0.8874 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6453 -1.4183 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 -1.4636 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5181 1.5685 1.0323 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