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Home > Nitro Compounds > 779327-00-3
779327-00-3 | 2-Furancarboxamide, N-[(2-chlorophenyl)methyl]-5-nitro-
CAS No: 779327-00-3 Catalog No: AG005EAF MDL No:
Product Description
Catalog Number:
AG005EAF
Chemical Name:
2-Furancarboxamide, N-[(2-chlorophenyl)methyl]-5-nitro-
CAS Number:
779327-00-3
Molecular Formula:
C12H9ClN2O4
Molecular Weight:
280.6639
IUPAC Name:
N-[(2-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C12H9ClN2O4/c13-9-4-2-1-3-8(9)7-14-12(16)10-5-6-11(19-10)15(17)18/h1-6H,7H2,(H,14,16)
InChI Key:
MZUWJURLVYFNJA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])NCc1ccccc1Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.664g/mol
Monoisotopic Mass:
280.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents. | Journal of medicinal chemistry 20041007 |
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