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127873-58-9 | 2-Furancarboxylic acid, 2-[[(5-nitro-2-furanyl)carbonyl]amino]ethyl ester
CAS No: 127873-58-9 Catalog No: AG000XHN MDL No:
Product Description
Catalog Number:
AG000XHN
Chemical Name:
2-Furancarboxylic acid, 2-[[(5-nitro-2-furanyl)carbonyl]amino]ethyl ester
CAS Number:
127873-58-9
Molecular Formula:
C12H10N2O7
Molecular Weight:
294.2170
IUPAC Name:
2-[(5-nitrofuran-2-carbonyl)amino]ethyl furan-2-carboxylate
InChI:
InChI=1S/C12H10N2O7/c15-11(8-3-4-10(21-8)14(17)18)13-5-7-20-12(16)9-2-1-6-19-9/h1-4,6H,5,7H2,(H,13,15)
InChI Key:
AUTNZFDYFGFFNN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])NCCOC(=O)c1ccco1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.219g/mol
Monoisotopic Mass:
294.049g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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