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309292-41-9 | 5-(3-Nitro-phenyl)-furan-2-carboxylic acid [2-(4--bromo-phenyl)-benzooxazol-5-yl]-amide
CAS No: 309292-41-9 Catalog No: AG01F29P MDL No:MFCD01872536
Product Description
Catalog Number:
AG01F29P
Chemical Name:
5-(3-Nitro-phenyl)-furan-2-carboxylic acid [2-(4--bromo-phenyl)-benzooxazol-5-yl]-amide
CAS Number:
309292-41-9
Molecular Formula:
C24H14BrN3O5
Molecular Weight:
504.2891
MDL Number:
MFCD01872536
IUPAC Name:
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
InChI:
InChI=1S/C24H14BrN3O5/c25-16-6-4-14(5-7-16)24-27-19-13-17(8-9-21(19)33-24)26-23(29)22-11-10-20(32-22)15-2-1-3-18(12-15)28(30)31/h1-13H,(H,26,29)
InChI Key:
ZIKVRKIDXAXNQV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.012g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
504.296g/mol
Monoisotopic Mass:
503.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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