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
2.8033 0.0845 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 -0.5523 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4231 -0.2471 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5131 -1.2890 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8346 -1.0533 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 0.2368 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4138 1.2767 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 1.0140 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 2.5041 0.3435 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1406 0.5614 -0.7761 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8393 -0.1711 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6042 0.8440 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0647 -1.3281 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 -2.3046 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5351 -1.8866 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 2.3105 -0.3162 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