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132031-99-3 | Benzamide, 4-azido-2-hydroxy-N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-5-iodo-
CAS No: 132031-99-3 Catalog No: AG00103J MDL No:
Product Description
Catalog Number:
AG00103J
Chemical Name:
Benzamide, 4-azido-2-hydroxy-N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-5-iodo-
CAS Number:
132031-99-3
Molecular Formula:
C16H9IN4O5
Molecular Weight:
464.1709
IUPAC Name:
4-azido-2-hydroxy-N-(4-hydroxy-2-oxochromen-3-yl)-5-iodobenzamide
InChI:
InChI=1S/C16H9IN4O5/c17-9-5-8(11(22)6-10(9)20-21-18)15(24)19-13-14(23)7-3-1-2-4-12(7)26-16(13)25/h1-6,22-23H,(H,19,24)
InChI Key:
OMKDZQXPOBYAJM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)Nc1c(=O)oc2c(c1O)cccc2
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.962g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
464.175g/mol
Monoisotopic Mass:
463.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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