Name: Name:Piperazine,1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG007A56
Rating: 90 (10 reviews)

Piperazine,1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-

CAS No.:

36317-84-7

Catalog Number:

AG007A56

Molecular Formula:

C11H11F3N4O4

Molecular Weight:

320.2246

Catalog Number:

AG007A56

Chemical Name:

Piperazine,1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-

CAS Number:

36317-84-7

Molecular Formula:

C11H11F3N4O4

Molecular Weight:

320.2246

MDL Number:

MFCD00052948

IUPAC Name:

1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine

InChI:

InChI=1S/C11H11F3N4O4/c12-11(13,14)7-5-8(17(19)20)10(9(6-7)18(21)22)16-3-1-15-2-4-16/h5-6,15H,1-4H2

InChI Key:

ADMOXSJPOKMGFZ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(cc(c1N1CCNCC1)[N+](=O)[O-])C(F)(F)F

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.228g/mol

Monoisotopic Mass:

320.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9