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126335-09-9 | Furo[3,4-b]pyridine-3-carbonitrile, 4-[2-(difluoromethoxy)phenyl]-5,7-dihydro-2-methyl-5-oxo-
CAS No: 126335-09-9 Catalog No: AG000SO3 MDL No:
Product Description
Catalog Number:
AG000SO3
Chemical Name:
Furo[3,4-b]pyridine-3-carbonitrile, 4-[2-(difluoromethoxy)phenyl]-5,7-dihydro-2-methyl-5-oxo-
CAS Number:
126335-09-9
Molecular Formula:
C16H10F2N2O3
Molecular Weight:
316.2590
IUPAC Name:
4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C16H10F2N2O3/c1-8-10(6-19)13(14-11(20-8)7-22-15(14)21)9-4-2-3-5-12(9)23-16(17)18/h2-5,16H,7H2,1H3
InChI Key:
MGLSVVFTWODJSS-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc2c(c1c1ccccc1OC(F)F)C(=O)OC2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.264g/mol
Monoisotopic Mass:
316.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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