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89342-77-8 | Benzoic acid, 3-[(benzoylhydrazono)methyl]-4-hydroxy-5-iodo-
CAS No: 89342-77-8 Catalog No: AG003ZG8 MDL No:
Product Description
Catalog Number:
AG003ZG8
Chemical Name:
Benzoic acid, 3-[(benzoylhydrazono)methyl]-4-hydroxy-5-iodo-
CAS Number:
89342-77-8
Molecular Formula:
C15H11IN2O4
Molecular Weight:
410.1633
IUPAC Name:
3-[(benzoylhydrazinylidene)methyl]-4-hydroxy-5-iodobenzoic acid
InChI:
InChI=1S/C15H11IN2O4/c16-12-7-10(15(21)22)6-11(13(12)19)8-17-18-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,18,20)(H,21,22)
InChI Key:
UFTGDUPPNLLRDX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NN=Cc1cc(cc(c1O)I)C(=O)O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.976g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.167g/mol
Monoisotopic Mass:
409.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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