Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
2.7436 0.4565 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8805 -0.5125 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -0.2990 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3885 -1.3624 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7540 -1.1838 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3181 0.0667 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 1.1287 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1302 0.9375 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 2.8594 -0.5346 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 1.4869 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 0.2581 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2757 -1.5145 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0265 -2.3457 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 -2.0016 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3959 0.2322 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4850 1.7935 -0.5309 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers