Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=C1)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Br
Heavy Atom Count
9
Molecular Weight
183.048
Exact Molecular Weight
181.9731
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
3.0921
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
-2.7063 0.7674 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9285 -0.2813 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 -0.2279 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -1.3846 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6460 -1.4025 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.1903 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 0.9801 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 0.9400 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 2.5849 -0.7281 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3049 1.7339 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7890 0.6913 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4203 -1.2329 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2467 -2.3202 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2023 -2.3303 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3804 -0.2110 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2991 1.8834 -0.4788 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
7 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers