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
2.8294 0.4589 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9104 -0.4851 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 -0.2691 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 0.9916 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4406 1.2070 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3123 0.1417 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 -1.1276 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4183 -1.3358 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2092 0.4100 0.1481 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8907 0.2567 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5339 1.4866 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -1.5155 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5689 1.8649 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8566 2.1980 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4734 -1.9659 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 -2.3163 -0.0226 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