5-nitro-1,2-benzoxazol-3-amine

5-nitro-1,2-benzoxazol-3-amine

CAS: 89793-82-8

Formula: C7H5N3O3

SMILES: NC1=NOC2=CC=C(C=C12)[N+]([O-])=O

IUPAC: 5-nitro-1,2-benzoxazol-3-amine

InChI: InChI=1S/C7H5N3O3/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9)

Composition: C (46.93%), H (2.81%), N (23.46%), O (26.79%)

Molar Mass: 179.135

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.033091033
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KIQGBLRPXXDRBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.16
Topological Polar Surface Area	95.19
Polarizability	16.88
Ring Count	2
Rotatable Bond Count	1

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