Home Other Building Blocks 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid

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

CAS No.:
1038356-45-4
Catalog Number:
AG01A9LI
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A9LI
Chemical Name:
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CAS Number:
1038356-45-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD11543487
IUPAC Name:
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
InChI:
InChI=1S/C13H14N2O3/c1-13(2,3)12-14-10(18-15-12)8-6-4-5-7-9(8)11(16)17/h4-7H,1-3H3,(H,16,17)
InChI Key:
PHDHRVFFYFFTIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1onc(n1)C(C)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties