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
2.7957 0.1699 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8389 0.7432 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4721 0.2758 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -0.7923 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3029 -1.1799 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -0.5232 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8416 0.5539 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5271 0.9381 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0930 -1.0749 0.0840 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8348 0.4997 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5791 -0.6813 -1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0784 1.5941 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7579 -1.3428 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 -2.0393 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5939 1.0733 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1927 1.7857 1.4420 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