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
-2.7536 -0.6700 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 0.2208 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4983 0.1494 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1527 -0.8507 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5465 -0.8470 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 0.1321 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6573 1.1286 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2771 1.1276 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2374 0.1002 0.1848 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8240 -0.5627 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4181 -1.5290 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4205 1.0457 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 -1.6388 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0774 -1.6288 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 1.9031 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2386 1.9196 -1.2486 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