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
-2.6796 -0.0370 0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9359 -0.1113 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.0413 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2640 -0.8762 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6215 -0.8510 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 -0.0030 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6338 0.8219 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2300 0.7935 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7160 2.0102 1.7702 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2447 0.0464 -0.2296 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 0.0760 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7814 -0.0872 0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4630 -0.2293 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 -1.5400 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1923 -1.4946 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 1.5228 1.2951 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