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
2.8287 0.2754 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8848 -0.5988 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4634 -0.3039 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 0.9679 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3601 1.2772 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2782 0.2969 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8387 -0.9887 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4922 -1.2709 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 0.7140 0.2387 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6586 1.3050 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8609 -0.0528 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 -1.6474 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7016 1.7633 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6915 2.2867 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5836 -1.7405 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1420 -2.2833 -0.1036 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