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Home > Nitro Compounds > 744203-16-5
744203-16-5 | 4H-1-Benzopyran-4-one, 7-methoxy-2-(3-nitrophenyl)-
CAS No: 744203-16-5 Catalog No: AG005BNT MDL No:
Product Description
Catalog Number:
AG005BNT
Chemical Name:
4H-1-Benzopyran-4-one, 7-methoxy-2-(3-nitrophenyl)-
CAS Number:
744203-16-5
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
IUPAC Name:
7-methoxy-2-(3-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C16H11NO5/c1-21-12-5-6-13-14(18)9-15(22-16(13)8-12)10-3-2-4-11(7-10)17(19)20/h2-9H,1H3
InChI Key:
UCVJFEDQWUIDKK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(cc2=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
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