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
2.8644 0.1860 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 -0.6280 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4622 -0.2752 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 -1.2333 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 -0.9357 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3062 0.3299 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3525 1.2825 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0032 0.9820 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1812 0.7374 0.0669 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 1.2058 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8973 -0.1141 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1302 -1.6573 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1700 -2.2193 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6056 -1.7142 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 2.2967 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 1.7566 0.4801 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