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140686-20-0 | Phenol, 5-(diethylamino)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CAS No: 140686-20-0 Catalog No: AG001CP8 MDL No:
Product Description
Catalog Number:
AG001CP8
Chemical Name:
Phenol, 5-(diethylamino)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CAS Number:
140686-20-0
Molecular Formula:
C15H17N5O3
Molecular Weight:
315.3272
IUPAC Name:
5-(diethylamino)-2-[(5-nitropyridin-2-yl)diazenyl]phenol
InChI:
InChI=1S/C15H17N5O3/c1-3-19(4-2)11-5-7-13(14(21)9-11)17-18-15-8-6-12(10-16-15)20(22)23/h5-10,21H,3-4H2,1-2H3
InChI Key:
MNLSTBFODQYYHU-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)O)N=Nc1ccc(cn1)[N+](=O)[O-])CC
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.333g/mol
Monoisotopic Mass:
315.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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