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10515-48-7 | Benzamide,2-hydroxy-N-(4-iodophenyl)-3-nitro-
CAS No: 10515-48-7 Catalog No: AG0085BF MDL No:
Product Description
Catalog Number:
AG0085BF
Chemical Name:
Benzamide,2-hydroxy-N-(4-iodophenyl)-3-nitro-
CAS Number:
10515-48-7
Molecular Formula:
C13H9IN2O4
Molecular Weight:
384.1260
IUPAC Name:
2-hydroxy-N-(4-iodophenyl)-3-nitrobenzamide
InChI:
InChI=1S/C13H9IN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)
InChI Key:
TXGONIKXFWSNOU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1O)[N+](=O)[O-])I)Nc1ccccc1
NSC Number:
27102
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.961g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.129g/mol
Monoisotopic Mass:
383.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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