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Home > Fluorides > 1260804-06-5
1260804-06-5 | Benzamide, N-(3-fluoro-2-pyridinyl)-
CAS No: 1260804-06-5 Catalog No: AG000RCD MDL No:
Product Description
Catalog Number:
AG000RCD
Chemical Name:
Benzamide, N-(3-fluoro-2-pyridinyl)-
CAS Number:
1260804-06-5
Molecular Formula:
C12H9FN2O
Molecular Weight:
216.2111
IUPAC Name:
4-phenyl-6-(trifluoromethoxy)-1H-quinazolin-2-one
InChI:
InChI=1S/C15H9F3N2O2/c16-15(17,18)22-10-6-7-12-11(8-10)13(20-14(21)19-12)9-4-2-1-3-5-9/h1-8H,(H,19,20,21)
InChI Key:
TUEQYMRYNBMHDV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ncccc1F
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.244g/mol
Monoisotopic Mass:
306.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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