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7048-21-7 | BENZYL 2-[2-[(3-NITROPHENYL)METHYLIDENE]-3-OXO-BENZOFURAN-6-YL]OXYACETATE
CAS No: 7048-21-7 Catalog No: AG005IKA MDL No:
Product Description
Catalog Number:
AG005IKA
Chemical Name:
BENZYL 2-[2-[(3-NITROPHENYL)METHYLIDENE]-3-OXO-BENZOFURAN-6-YL]OXYACETATE
CAS Number:
7048-21-7
Molecular Formula:
C24H17NO7
Molecular Weight:
431.3943
IUPAC Name:
benzyl 2-[[2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
InChI:
InChI=1S/C24H17NO7/c26-23(31-14-16-5-2-1-3-6-16)15-30-19-9-10-20-21(13-19)32-22(24(20)27)12-17-7-4-8-18(11-17)25(28)29/h1-13H,14-15H2
InChI Key:
UIGALRMXGPVZIR-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)COc1ccc2c(c1)OC(=Cc1cccc(c1)[N+](=O)[O-])C2=O
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.101g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.4g/mol
Monoisotopic Mass:
431.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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