N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine

N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine

CAS: 18378-20-6

Formula: C13H10N4O3

SMILES: [O-][N+](=O)C1=CC=C(NCC2=CC=CC=C2)C2=NON=C12

IUPAC: N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine

InChI: InChI=1S/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2

Composition: C (57.78%), H (3.73%), N (20.73%), O (17.76%)

Molar Mass: 270.248

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	270.075290198
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GZFKJMWBKTUNJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.26
Topological Polar Surface Area	94.09
Polarizability	27.43
Ring Count	3
Rotatable Bond Count	4

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