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Home > Nitro Compounds > 779327-06-9
779327-06-9 | 2-Furancarboxamide, 5-nitro-N-[(1R)-1-phenylethyl]-
CAS No: 779327-06-9 Catalog No: AG005EAD MDL No:
Product Description
Catalog Number:
AG005EAD
Chemical Name:
2-Furancarboxamide, 5-nitro-N-[(1R)-1-phenylethyl]-
CAS Number:
779327-06-9
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
5-nitro-N-[(1R)-1-phenylethyl]furan-2-carboxamide
InChI:
InChI=1S/C13H12N2O4/c1-9(10-5-3-2-4-6-10)14-13(16)11-7-8-12(19-11)15(17)18/h2-9H,1H3,(H,14,16)/t9-/m1/s1
InChI Key:
YVLORCVRBMUNQM-SECBINFHSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])N[C@@H](c1ccccc1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents. | Journal of medicinal chemistry 20041007 |
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