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14521-80-3 | 1H-Pyrazole, 3-bromo-
CAS No: 14521-80-3 Catalog No: AG001KOH MDL No:MFCD01646049
Product Description
Catalog Number:
AG001KOH
Chemical Name:
1H-Pyrazole, 3-bromo-
CAS Number:
14521-80-3
Molecular Formula:
C3H3BrN2
Molecular Weight:
146.9733
MDL Number:
MFCD01646049
IUPAC Name:
5-bromo-1H-pyrazole
InChI:
InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:
XHZWFUVEKDDQPF-UHFFFAOYSA-N
SMILES:
Brc1cc[nH]n1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.948g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.975g/mol
Monoisotopic Mass:
145.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A facile and improved synthesis of sildenafil (Viagra) analogs through solid support microwave irradiation possessing tyrosinase inhibitory potential, their conformational analysis and molecular dynamics simulation studies. | Molecular diversity 20050101 |
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