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
2.8127 0.1611 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 -0.6888 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 -0.2876 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5516 -1.2103 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 -0.8859 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 0.3652 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 1.2838 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0451 0.9533 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1423 0.8116 -0.3228 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 1.1751 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8456 -0.1884 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1230 -1.6778 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -2.1938 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 -1.6001 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 2.2867 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 1.6959 -0.5444 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