5-nitro-2-(pyridin-3-yl)-1H-1,3-benzodiazole

5-nitro-2-(pyridin-3-yl)-1H-1,3-benzodiazole

CAS: 145861-59-2

Formula: C12H8N4O2

SMILES: [O-][N+](=O)C1=CC=C2NC(=NC2=C1)C1=CC=CN=C1

IUPAC: 5-nitro-2-(pyridin-3-yl)-1H-1,3-benzodiazole

InChI: InChI=1S/C12H8N4O2/c17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8/h1-7H,(H,14,15)

Composition: C (60.00%), H (3.36%), N (23.32%), O (13.32%)

Molar Mass: 240.222

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	240.064725514
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IIIXDDOCSBCSNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.23
Topological Polar Surface Area	84.71
Polarizability	25.88
Ring Count	3
Rotatable Bond Count	2

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95%	<5 Days	145861-59-2		$2,060.00-$4,016.00$2,060.00$2,992.00$4,016.00