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
2.7601 0.4021 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8523 -0.5423 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4299 -0.2970 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4396 -1.3776 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7835 -1.1636 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3062 0.1109 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4632 1.1905 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0900 0.9777 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1873 2.9523 -0.0579 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8169 0.1859 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4928 1.4413 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2194 -1.5812 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -2.3897 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 -2.0246 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3715 0.2602 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5353 1.8551 -0.1248 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