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Home > Nitro Compounds > 89331-88-4
89331-88-4 | 1H-Indazole, 1-[(4-methyl-1-piperazinyl)methyl]-5-nitro-
CAS No: 89331-88-4 Catalog No: AG003YEH MDL No:
Product Description
Catalog Number:
AG003YEH
Chemical Name:
1H-Indazole, 1-[(4-methyl-1-piperazinyl)methyl]-5-nitro-
CAS Number:
89331-88-4
Molecular Formula:
C13H17N5O2
Molecular Weight:
275.3064
IUPAC Name:
1-[(4-methylpiperazin-1-yl)methyl]-5-nitroindazole
InChI:
InChI=1S/C13H17N5O2/c1-15-4-6-16(7-5-15)10-17-13-3-2-12(18(19)20)8-11(13)9-14-17/h2-3,8-9H,4-7,10H2,1H3
InChI Key:
MPBOTTCFOZFCRZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cn1ncc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.312g/mol
Monoisotopic Mass:
275.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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