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
2.7534 -0.0429 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 -0.1169 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5150 -0.0409 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2521 -0.1307 1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6279 -0.0650 1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3220 0.0922 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5803 0.1811 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1785 0.1154 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2246 0.1738 0.1581 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 0.0797 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 -0.1040 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4021 -0.2409 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 -0.2553 2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2011 -0.1382 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0896 0.3035 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3836 0.1891 -1.9370 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