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Home > Nitro Compounds > 61785-52-2
61785-52-2 | 4-Nitro-7-(4-propyl-1-piperazinyl)benzofurazane 1-oxide
CAS No: 61785-52-2 Catalog No: AG00F53V MDL No:
Product Description
Catalog Number:
AG00F53V
Chemical Name:
4-Nitro-7-(4-propyl-1-piperazinyl)benzofurazane 1-oxide
CAS Number:
61785-52-2
IUPAC Name:
7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium
InChI:
InChI=1S/C13H17N5O4/c1-2-5-15-6-8-16(9-7-15)11-4-3-10(17(19)20)12-13(11)18(21)22-14-12/h3-4H,2,5-9H2,1H3
InChI Key:
YUXYRWBLHMZNFB-UHFFFAOYSA-N
NSC Number:
228105
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.31g/mol
Monoisotopic Mass:
307.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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