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93745-58-5 | 1H-IMIDAZO(1,2-B)PYRAZOLE, 3-NITROSO-2,6-DIPHENYL-
CAS No: 93745-58-5 Catalog No: AG006EM7 MDL No:
Product Description
Catalog Number:
AG006EM7
Chemical Name:
1H-IMIDAZO(1,2-B)PYRAZOLE, 3-NITROSO-2,6-DIPHENYL-
CAS Number:
93745-58-5
Molecular Formula:
C17H12N4O
Molecular Weight:
288.3034
IUPAC Name:
3-nitroso-2,6-diphenyl-5H-imidazo[1,2-b]pyrazole
InChI:
InChI=1S/C17H12N4O/c22-20-17-16(13-9-5-2-6-10-13)18-15-11-14(19-21(15)17)12-7-3-1-4-8-12/h1-11,19H
InChI Key:
GMGRCWALKVWPQH-UHFFFAOYSA-N
SMILES:
O=Nc1c([nH]c2n1nc(c2)c1ccccc1)c1ccccc1
NSC Number:
369062
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.31g/mol
Monoisotopic Mass:
288.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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