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

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

CAS: 63770-48-9

Formula: C8H6N2O3

SMILES: CC1=NOC2=CC=C(C=C12)[N+]([O-])=O

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

InChI: InChI=1S/C8H6N2O3/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/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 PQLIRZDJBWDLOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.74
Topological Polar Surface Area 69.17
Polarizability 17.48
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 63770-48-9 $276.00-$1,351.25$276.00$402.50$1,351.25
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