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329198-70-1 | 5-Nitro-furan-2-carboxylic acid [2-(2-bromo-phenyl)-benzooxazol-5-yl]-amide
CAS No: 329198-70-1 Catalog No: AG01F2DT MDL No:MFCD01146345
Product Description
Catalog Number:
AG01F2DT
Chemical Name:
5-Nitro-furan-2-carboxylic acid [2-(2-bromo-phenyl)-benzooxazol-5-yl]-amide
CAS Number:
329198-70-1
Molecular Formula:
C18H10BrN3O5
Molecular Weight:
428.1931
MDL Number:
MFCD01146345
IUPAC Name:
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C18H10BrN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23)
InChI Key:
CLQNPWAFTIOGAU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccccc1Br
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.98g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.198g/mol
Monoisotopic Mass:
426.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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