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
-2.7183 -0.6161 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8422 0.3012 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 0.1699 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 1.1673 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7704 1.1245 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2383 0.0658 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -0.9206 -0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0070 -0.8829 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0634 -0.0304 -1.1532 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5342 -1.5052 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7432 -0.4803 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1501 1.1555 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0865 1.9932 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 1.9018 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7055 -1.7579 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 -1.6858 -0.7990 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