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Home > Fluorides > 825617-67-2
825617-67-2 | Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-
CAS No: 825617-67-2 Catalog No: AG004YOI MDL No:
Product Description
Catalog Number:
AG004YOI
Chemical Name:
Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-
CAS Number:
825617-67-2
Molecular Formula:
C17H12FN5O
Molecular Weight:
321.3085
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluorobenzamide
InChI:
InChI=1S/C17H12FN5O/c18-11-6-2-1-5-10(11)17(24)22-14-9-19-23-15(14)16-20-12-7-3-4-8-13(12)21-16/h1-9H,(H,19,23)(H,20,21)(H,22,24)
InChI Key:
ISZZIQQLYZMOSL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1F)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.315g/mol
Monoisotopic Mass:
321.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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