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
2.7909 -0.5095 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 0.3852 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4872 0.1665 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -0.9767 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4575 -1.1305 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3245 -0.1289 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7773 1.0248 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 1.1747 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9890 2.4122 -0.8261 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8711 -0.3186 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4685 -1.4483 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2349 1.3385 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5747 -1.7988 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8435 -2.0500 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -0.2473 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0134 2.1067 -0.8740 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