4-nitro-2,1,3-benzoselenadiazole

4-nitro-2,1,3-benzoselenadiazole

CAS: 20718-41-6

Formula: C6H3N3O2Se

SMILES: [O-][N+](=O)C1=CC=CC2=N[Se]N=C12

IUPAC: 4-nitro-2,1,3-benzoselenadiazole

InChI: InChI=1S/C6H3N3O2Se/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H

Composition: C (31.60%), H (1.33%), N (18.42%), O (14.03%), Se (34.62%)

Molar Mass: 228.08

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.939048
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	PUKFAFPOBCMYAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.22
Topological Polar Surface Area	68.92
Polarizability	14
Ring Count	2
Rotatable Bond Count	1

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