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Home > Nitro Compounds > 691392-48-0
691392-48-0 | 3-(4-nitro benzoyloxy) flavone
CAS No: 691392-48-0 Catalog No: AG01EBNN MDL No:
Product Description
Catalog Number:
AG01EBNN
Chemical Name:
3-(4-nitro benzoyloxy) flavone
CAS Number:
691392-48-0
IUPAC Name:
(4-oxo-2-phenylchromen-3-yl) 4-nitrobenzoate
InChI:
InChI=1S/C22H13NO6/c24-19-17-8-4-5-9-18(17)28-20(14-6-2-1-3-7-14)21(19)29-22(25)15-10-12-16(13-11-15)23(26)27/h1-13H
InChI Key:
DFHKMHATDHOKFY-UHFFFAOYSA-N
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.074g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.347g/mol
Monoisotopic Mass:
387.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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