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
2.7827 0.3818 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.0377 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4506 -0.0229 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0768 0.2680 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2641 0.1871 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2636 -0.1786 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 -0.4685 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 -0.3954 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0796 -0.2744 1.0436 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8304 0.4268 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6805 0.6407 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 -0.2024 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8136 0.5644 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 0.4176 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 -0.7620 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.6200 -2.2175 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