Home Other Building Blocks 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

CAS No.:
949393-13-9
Catalog Number:
AG019KL8
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
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Product Description
Catalog Number:
AG019KL8
Chemical Name:
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CAS Number:
949393-13-9
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
MDL Number:
MFCD09802047
IUPAC Name:
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
InChI:
InChI=1S/C16H12N2O3/c1-10-3-2-4-13(9-10)15-18-17-14(21-15)11-5-7-12(8-6-11)16(19)20/h2-9H,1H3,(H,19,20)
InChI Key:
HYNZNMMMQDMRCQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nnc(o1)c1ccc(cc1)C(=O)O
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/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