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
-2.8370 -0.1849 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 0.6021 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4088 0.2552 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.2289 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8051 0.9861 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3217 -0.2441 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4408 -1.1852 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0636 -0.9513 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9917 -2.3579 1.1632 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1911 -0.5843 -0.3320 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8573 0.2304 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7480 -1.2175 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0483 1.6691 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0667 2.1970 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 1.7171 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8266 -2.1606 0.6142 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