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2-tert-butyl-1,3-benzoxazole

2-tert-butyl-1,3-benzoxazole

Formula: C11H13NO

SMILES: CC(C)(C)C1=NC2=CC=CC=C2O1

IUPAC: 2-tert-butyl-1,3-benzoxazole

InChI: InChI=1S/C11H13NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 175.099714043
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IORNPTDHRCBFER-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.87
Topological Polar Surface Area 26.03
Polarizability 21.14
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C11H13NO $188.87-$641.41$188.87$277.70$641.41
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