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445025-15-0 | 7-Difluoromethyl-4-hydroxy-9-methyl-1H-thieno[2,3-b;4,5-b']dipyridin-2-one
CAS No: 445025-15-0 Catalog No: AG01F2DK MDL No:
Product Description
Catalog Number:
AG01F2DK
Chemical Name:
7-Difluoromethyl-4-hydroxy-9-methyl-1H-thieno[2,3-b;4,5-b']dipyridin-2-one
CAS Number:
445025-15-0
Molecular Formula:
C12H8F2N2O2S
Molecular Weight:
282.2659
IUPAC Name:
11-(difluoromethyl)-6-hydroxy-13-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
InChI:
InChI=1S/C12H8F2N2O2S/c1-4-2-5(11(13)14)15-12-8(4)9-10(19-12)6(17)3-7(18)16-9/h2-3,11H,1H3,(H2,16,17,18)
InChI Key:
XOODPDRFXACZIM-UHFFFAOYSA-N
SMILES:
FC(c1cc(C)c2c(n1)sc1c2[nH]c(=O)cc1O)F
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.265g/mol
Monoisotopic Mass:
282.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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