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Home > Fluorides > 131761-60-9
131761-60-9 | 2H-1,4-Benzoxazin-3(4H)-one, 7-fluoro-2,4-dihydroxy-
CAS No: 131761-60-9 Catalog No: AG000ZPI MDL No:
Product Description
Catalog Number:
AG000ZPI
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 7-fluoro-2,4-dihydroxy-
CAS Number:
131761-60-9
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
IUPAC Name:
7-fluoro-2,4-dihydroxy-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6FNO4/c9-4-1-2-5-6(3-4)14-8(12)7(11)10(5)13/h1-3,8,12-13H
InChI Key:
GKZPJUWMLCJWHE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)OC(C(=O)N2O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.137g/mol
Monoisotopic Mass:
199.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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