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3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid

CAS: 775304-06-8

Formula: C13H14N2O3

SMILES: CC(C)(C)C1=NC(=NO1)C1=CC=CC(=C1)C(O)=O

IUPAC: 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid

InChI: InChI=1S/C13H14N2O3/c1-13(2,3)12-14-10(15-18-12)8-5-4-6-9(7-8)11(16)17/h4-7H,1-3H3,(H,16,17)

Composition: C (63.40%), H (5.73%), N (11.38%), O (19.49%)

Molar Mass: 246.266

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.100442319
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZYGDISPYCSVBNE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.48
Topological Polar Surface Area 76.22
Polarizability 25.34
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 775304-06-8 $180.75$180.75
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