2-methyl-6-nitro-1,3-benzoxazole

2-methyl-6-nitro-1,3-benzoxazole

CAS: 5683-43-2

Formula: C8H6N2O3

SMILES: CC1=NC2=CC=C(C=C2O1)[N+]([O-])=O

IUPAC: 2-methyl-6-nitro-1,3-benzoxazole

InChI: InChI=1S/C8H6N2O3/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3

Composition: C (53.94%), H (3.39%), N (15.73%), O (26.94%)

Molar Mass: 178.147

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.037842061
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DPVZLXWUFYMLBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.48
Topological Polar Surface Area	69.17
Polarizability	17.48
Ring Count	2
Rotatable Bond Count	1

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