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
-2.7834 0.6741 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -0.0508 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4749 -0.0956 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 0.6326 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4481 0.5687 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2912 -0.2299 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7423 -0.9665 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3836 -0.8910 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1543 -0.3191 -0.7210 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5105 1.3085 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8060 0.6606 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2591 -0.6611 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5489 1.2687 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8702 1.1523 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3789 -1.5900 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0533 -1.4615 1.7845 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