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Home > Fluorides > 825615-95-0
825615-95-0 | Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-
CAS No: 825615-95-0 Catalog No: AG005DWX MDL No:
Product Description
Catalog Number:
AG005DWX
Chemical Name:
Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-
CAS Number:
825615-95-0
Molecular Formula:
C17H11F2N5O
Molecular Weight:
339.2989
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
InChI:
InChI=1S/C17H11F2N5O/c18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h1-8H,(H,20,24)(H,21,22)(H,23,25)
InChI Key:
KGUQXJMKXFMQKL-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)cccc1F)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.306g/mol
Monoisotopic Mass:
339.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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