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Home > Nitro Compounds > 300731-59-3
300731-59-3 | 4-[5-(3-Nitro-phenyl)-furan-2-ylmethylene]-2-phenyl-4H-oxazol-5-one
CAS No: 300731-59-3 Catalog No: AG01F5FN MDL No:
Product Description
Catalog Number:
AG01F5FN
Chemical Name:
4-[5-(3-Nitro-phenyl)-furan-2-ylmethylene]-2-phenyl-4H-oxazol-5-one
CAS Number:
300731-59-3
Molecular Formula:
C20H12N2O5
Molecular Weight:
360.3197
IUPAC Name:
(4E)-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C20H12N2O5/c23-20-17(21-19(27-20)13-5-2-1-3-6-13)12-16-9-10-18(26-16)14-7-4-8-15(11-14)22(24)25/h1-12H/b17-12+
InChI Key:
LWCLMKHZHMVEDX-SFQUDFHCSA-N
SMILES:
O=C1OC(=N/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
360.075g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.325g/mol
Monoisotopic Mass:
360.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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