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
2.8073 0.1564 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9103 -0.2434 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 -0.1165 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 0.4145 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3957 0.5235 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3023 0.0949 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8049 -0.4427 -0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4536 -0.5498 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1975 0.2347 0.4881 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6054 0.5954 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8715 0.0494 0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2616 -0.6773 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6693 0.7668 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7804 0.9444 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5508 -0.7753 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.9752 -2.1246 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