Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
-2.7299 0.3738 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8061 -0.5313 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 -0.2810 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0743 0.9504 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2631 1.1837 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2163 0.2154 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8417 -1.0047 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 -1.2738 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0440 0.5189 -0.5861 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6320 1.3634 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7671 0.1000 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0503 -1.5193 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7607 1.7553 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5507 2.1522 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5725 -1.7871 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 -2.2158 1.0492 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers