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180082-59-1 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS No: 180082-59-1 Catalog No: AG0021OE MDL No:
Product Description
Catalog Number:
AG0021OE
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number:
180082-59-1
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
InChI:
InChI=1S/C16H12N2O3/c1-10-17-15(18-21-10)13-6-2-11(3-7-13)12-4-8-14(9-5-12)16(19)20/h2-9H,1H3,(H,19,20)
InChI Key:
NVOYICJFUIMSEN-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)c1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
361
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:
3.5
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