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
2.5025 -1.3385 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 -0.1705 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5098 0.0468 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 -0.9600 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7128 -0.7181 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2486 0.5431 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 1.5539 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 1.3088 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 2.7385 0.7749 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1132 0.8535 -0.7098 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.5534 -1.4424 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 -2.2107 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4974 0.7117 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0228 -1.9556 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 -1.5086 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8067 2.5482 0.1163 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