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127192-67-0 | 2H-1-Benzopyran-2-one, 3-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]-7-methoxy-
CAS No: 127192-67-0 Catalog No: AG000WQV MDL No:
Product Description
Catalog Number:
AG000WQV
Chemical Name:
2H-1-Benzopyran-2-one, 3-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]-7-methoxy-
CAS Number:
127192-67-0
Molecular Formula:
C13H8F2N4O3
Molecular Weight:
306.2244
IUPAC Name:
3-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]-7-methoxychromen-2-one
InChI:
InChI=1S/C13H8F2N4O3/c1-21-7-3-2-6-4-8(10(20)22-9(6)5-7)16-13-18-11(14)17-12(15)19-13/h2-5H,1H3,(H,16,17,18,19)
InChI Key:
HHJOBSJNFNVLNR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2)Nc1nc(F)nc(n1)F
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.229g/mol
Monoisotopic Mass:
306.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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