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Home > Nitro Compounds > 65427-82-9
65427-82-9 | 5-[4-(3-Methylphenyl)-1-piperazinyl]-4-nitrobenzofurazane
CAS No: 65427-82-9 Catalog No: AG00F7NH MDL No:
Product Description
Catalog Number:
AG00F7NH
Chemical Name:
5-[4-(3-Methylphenyl)-1-piperazinyl]-4-nitrobenzofurazane
CAS Number:
65427-82-9
IUPAC Name:
5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C17H17N5O3/c1-12-3-2-4-13(11-12)20-7-9-21(10-8-20)15-6-5-14-16(19-25-18-14)17(15)22(23)24/h2-6,11H,7-10H2,1H3
InChI Key:
MXLYUXLWOJHPJY-UHFFFAOYSA-N
NSC Number:
288660
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.355g/mol
Monoisotopic Mass:
339.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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