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
2.8589 -0.1943 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7854 -0.7953 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4248 -0.2960 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 -1.0059 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9611 -0.5925 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2459 0.5792 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2041 1.3129 0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1185 0.8724 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0519 1.1558 0.3279 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8419 -0.5932 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7777 0.7290 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -1.7360 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 -1.9351 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7533 -1.1946 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4008 2.2352 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9182 1.4585 0.9442 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