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23145-07-5 | Benzofuran, 5-bromo-
CAS No: 23145-07-5 Catalog No: AG002MCX MDL No:MFCD03407317
Product Description
Catalog Number:
AG002MCX
Chemical Name:
Benzofuran, 5-bromo-
CAS Number:
23145-07-5
Molecular Formula:
C8H5BrO
Molecular Weight:
197.0287
MDL Number:
MFCD03407317
IUPAC Name:
5-bromo-1-benzofuran
InChI:
InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChI Key:
AYOVPQORFBWFNO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cco2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.952g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.031g/mol
Monoisotopic Mass:
195.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition. | European journal of medicinal chemistry 20111001 |
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