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

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

CAS: 6458-17-9

Formula: C7H5N3O3

SMILES: NC1=NC2=CC=C(C=C2O1)[N+]([O-])=O

IUPAC: 6-nitro-1,3-benzoxazol-2-amine

InChI: InChI=1S/C7H5N3O3/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/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	UHYVXILHAMUPRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.22
Topological Polar Surface Area	95.19
Polarizability	16.88
Ring Count	2
Rotatable Bond Count	1

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