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
2.8367 -0.3500 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 0.4357 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 0.2190 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 -0.8579 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3974 -1.0440 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3112 -0.1382 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8184 0.9421 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4736 1.1357 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1832 -0.3981 -0.5416 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8950 -0.1802 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 -1.2339 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2164 1.3255 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6792 -1.5932 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7241 -1.8997 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 1.6489 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0930 1.9883 1.2021 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