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
-2.7881 0.1774 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7899 -0.4942 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4134 -0.2006 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -1.3096 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 -1.1029 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 0.1434 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4304 1.2039 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0857 1.0577 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 2.6211 0.1956 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1467 0.3881 -0.8437 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 0.9912 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8115 -0.0929 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9800 -1.3317 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 -2.3223 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 -1.9419 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8150 2.2133 -0.4530 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