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
-2.7031 0.9740 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -0.0379 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 -0.1088 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 0.8792 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6161 0.7733 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.3470 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5379 -1.3413 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1732 -1.2345 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1837 -0.5143 0.3733 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2577 1.8221 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7609 0.9528 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 -0.8897 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 1.7626 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1892 1.5608 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0907 -2.2148 -0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3887 -2.0365 -1.0400 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