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
2.8156 -0.3875 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8918 0.5172 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4678 0.2438 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 1.2741 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 1.0484 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3077 -0.1796 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3945 -1.1939 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 -0.9767 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1725 -0.4315 0.5417 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5711 -1.3836 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8468 -0.1425 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2156 1.5136 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0643 2.2250 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5234 1.8578 -0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 -2.1778 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 -1.8068 0.4173 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