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1402550-75-7 | 2(1H)-Pyridinone, 5-(difluoromethyl)-
CAS No: 1402550-75-7 Catalog No: AG001C77 MDL No:
Product Description
Catalog Number:
AG001C77
Chemical Name:
2(1H)-Pyridinone, 5-(difluoromethyl)-
CAS Number:
1402550-75-7
Molecular Formula:
C6H5F2NO
Molecular Weight:
145.1068
IUPAC Name:
5-(difluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H5F2NO/c7-6(8)4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10)
InChI Key:
HFHSPDOMAZYGRR-UHFFFAOYSA-N
SMILES:
FC(c1ccc(=O)[nH]c1)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.109g/mol
Monoisotopic Mass:
145.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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