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
-0.6879 0.5112 -2.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 0.2623 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4082 0.0510 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -0.2040 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 -0.4175 2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0183 -0.3651 2.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 -0.1125 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 0.0985 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0243 -0.6523 3.6236 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.3151 0.6658 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3645 0.5787 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3115 0.2194 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1159 -0.2376 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8973 -0.6151 2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7781 -0.0755 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5102 0.2926 -1.2484 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