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84567-86-2 | Phenol, 2-[[bis(2-pyridinylmethyl)amino]methyl]-4-nitro-
CAS No: 84567-86-2 Catalog No: AG004R0O MDL No:
Product Description
Catalog Number:
AG004R0O
Chemical Name:
Phenol, 2-[[bis(2-pyridinylmethyl)amino]methyl]-4-nitro-
CAS Number:
84567-86-2
Molecular Formula:
C19H18N4O3
Molecular Weight:
350.3712
IUPAC Name:
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenol
InChI:
InChI=1S/C19H18N4O3/c24-19-8-7-18(23(25)26)11-15(19)12-22(13-16-5-1-3-9-20-16)14-17-6-2-4-10-21-17/h1-11,24H,12-14H2
InChI Key:
NOCRPKUXWRQMHY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1CN(Cc1ccccn1)Cc1ccccn1)[N+](=O)[O-]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Unique example of flexible phenol coordination in mononuclear manganese compounds. | Dalton transactions (Cambridge, England : 2003) 20040507 |
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