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
-2.8100 0.3011 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8624 -0.5984 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4595 -0.2853 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 -1.3134 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 -1.0382 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.2560 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 1.2847 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 1.0032 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1793 0.6499 -0.0731 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6574 1.3722 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8799 0.0333 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 -1.6423 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 -2.3271 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 -1.8475 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6811 2.3293 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 1.8225 -0.0540 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