7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-1-ium-1-olate

7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-1-ium-1-olate

CAS: 58131-57-0

Formula: C11H13N5O4

SMILES: CN1CCN(CC1)C1=CC=C(C2=NO[N+]([O-])=C12)[N+]([O-])=O

IUPAC: 7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-1-ium-1-olate

InChI: InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3

Composition: C (47.31%), H (4.69%), N (25.08%), O (22.92%)

Molar Mass: 279.256

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.096753919
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	MWFZDJLPWDCQIL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.74
Topological Polar Surface Area	102.59
Polarizability	26.58
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98.97%	<7 Days	58131-57-0		$140.25-$1,196.80$140.25$233.75$514.25$822.80$1,196.80

Selleck Chemicals

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	58131-57-0		Quote Only

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	58131-57-0		$53.51-$1,532.62$53.51$108.54$201.04$302.70$603.88$1,532.62