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Home > Fluorides > 825618-87-9
825618-87-9 | Benzamide, 2,6-difluoro-N-[3-(1H-purin-8-yl)-1H-pyrazol-4-yl]-
CAS No: 825618-87-9 Catalog No: AG004YLV MDL No:
Product Description
Catalog Number:
AG004YLV
Chemical Name:
Benzamide, 2,6-difluoro-N-[3-(1H-purin-8-yl)-1H-pyrazol-4-yl]-
CAS Number:
825618-87-9
Molecular Formula:
C15H9F2N7O
Molecular Weight:
341.2751
IUPAC Name:
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide
InChI:
InChI=1S/C15H9F2N7O/c16-7-2-1-3-8(17)11(7)15(25)22-9-5-20-24-12(9)14-21-10-4-18-6-19-13(10)23-14/h1-6H,(H,20,24)(H,22,25)(H,18,19,21,23)
InChI Key:
RZUVUOFJUSDGPW-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)cccc1F)Nc1c[nH]nc1c1nc2c(n1)c[nH]cn2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.282g/mol
Monoisotopic Mass:
341.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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