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
-2.8146 -0.2879 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 0.2685 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4558 0.1389 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5609 0.7569 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8790 0.6578 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2706 -0.0568 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2797 -0.6645 -1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0557 -0.5736 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1170 -0.2025 -0.9523 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8469 -0.1639 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6752 -0.8646 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0774 0.8491 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2542 1.3246 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6795 1.1388 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 -1.2373 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8157 -1.0832 -1.4520 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