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

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

CAS: 13452-16-9

Formula: C8H5ClN2O3

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

IUPAC: 5-chloro-2-methyl-6-nitro-1,3-benzoxazole

InChI: InChI=1S/C8H5ClN2O3/c1-4-10-6-2-5(9)7(11(12)13)3-8(6)14-4/h2-3H,1H3

Composition: C (45.20%), H (2.37%), Cl (16.68%), N (13.18%), O (22.58%)

Molar Mass: 212.59

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	211.9988697
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HLNUPKJPTAHIEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.29
Topological Polar Surface Area	69.17
Polarizability	19.45
Ring Count	2
Rotatable Bond Count	1

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