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
-1.0576 1.2717 -2.2618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 0.3010 -1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 0.0256 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 0.7170 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6328 0.4231 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3313 -0.6200 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1667 -1.3589 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 -1.0363 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -2.8179 2.6831 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 1.4662 -3.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2028 1.8922 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1820 -0.3089 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 1.5583 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5187 1.0002 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9170 -0.9291 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5637 -1.5842 0.3045 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