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
-2.5097 -1.0681 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8122 -0.5685 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4396 -0.1244 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2418 -0.1824 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 0.2649 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1754 0.7698 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4857 0.8275 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1878 0.3910 1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 1.5305 2.7224 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.5358 -1.3866 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0847 -1.1637 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2879 -0.4890 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2514 -0.5845 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 0.2008 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.1288 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 0.4537 2.2316 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