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
2.6182 -0.9056 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 -0.4080 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.0845 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1626 -0.2512 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4925 0.0711 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 0.5914 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6357 0.7866 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3099 0.4502 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6554 1.5044 -2.4609 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6461 -1.1456 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2448 -1.0851 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.2386 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3767 -0.6550 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9668 -0.0740 2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2596 0.8550 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1749 0.5890 -2.1675 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