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Home > Nitro Compounds > 827606-85-9
827606-85-9 | 1H-Furo[3,4-c]pyrrole-1,4(5H)-dione, 3-(4-nitrophenyl)-6-phenyl-
CAS No: 827606-85-9 Catalog No: AG0056ZW MDL No:
Product Description
Catalog Number:
AG0056ZW
Chemical Name:
1H-Furo[3,4-c]pyrrole-1,4(5H)-dione, 3-(4-nitrophenyl)-6-phenyl-
CAS Number:
827606-85-9
Molecular Formula:
C18H10N2O5
Molecular Weight:
334.2824
IUPAC Name:
3-hydroxy-1-(4-nitrophenyl)-4-phenylfuro[3,4-c]pyrrol-6-one
InChI:
InChI=1S/C18H10N2O5/c21-17-14-13(15(19-17)10-4-2-1-3-5-10)18(22)25-16(14)11-6-8-12(9-7-11)20(23)24/h1-9,22H
InChI Key:
SAOUPDYZAOSAGS-UHFFFAOYSA-N
SMILES:
O=C1NC(=C2C1=C(OC2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.287g/mol
Monoisotopic Mass:
334.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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