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Home > Nitro Compounds > 58131-52-5
58131-52-5 | 4-(4-Methylpiperazino)-7-nitro-2,1,3-benzoxadiazole
CAS No: 58131-52-5 Catalog No: AG00F1DV MDL No:
Product Description
Catalog Number:
AG00F1DV
Chemical Name:
4-(4-Methylpiperazino)-7-nitro-2,1,3-benzoxadiazole
CAS Number:
58131-52-5
IUPAC Name:
7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C11H13N5O3/c1-14-4-6-15(7-5-14)8-2-3-9(16(17)18)11-10(8)12-19-13-11/h2-3H,4-7H2,1H3
InChI Key:
NKLHPLDRPGAXTQ-UHFFFAOYSA-N
NSC Number:
228141
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.257g/mol
Monoisotopic Mass:
263.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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