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
2.5288 -1.1666 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -0.0384 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4733 0.0989 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2786 -0.9381 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6496 -0.8267 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2304 0.3920 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4804 1.4312 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1387 1.3302 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8759 2.7846 1.0993 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1116 0.6091 -0.7006 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.0883 -2.0701 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 -1.2361 0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4667 0.7884 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1396 -1.9117 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2265 -1.6395 -1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9639 2.3928 0.3505 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