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
-2.7136 0.6004 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 -0.2796 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4529 -0.1607 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -1.1357 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7778 -1.0767 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 -0.0636 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 0.8851 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 0.8535 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0572 0.0221 -1.1849 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 1.4344 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 0.4729 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 -1.1075 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1005 -1.9396 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4876 -1.8518 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6107 1.7033 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6911 1.6434 -0.9078 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