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
-2.7865 0.1970 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7889 -0.5761 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 -0.2423 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4274 -1.2923 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7348 -1.0620 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 0.1948 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 1.2299 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1417 1.0008 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 2.4792 -0.8143 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1197 0.4691 1.0021 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8182 -0.0630 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6603 1.0929 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -1.5031 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 -2.2840 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3932 -1.8878 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8372 2.2469 0.0854 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