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827-58-7 | 1,3,4-Oxadiazole, 2-(4-methylphenyl)-
CAS No: 827-58-7 Catalog No: AG004UD6 MDL No:MFCD00489537
Product Description
Catalog Number:
AG004UD6
Chemical Name:
1,3,4-Oxadiazole, 2-(4-methylphenyl)-
CAS Number:
827-58-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00489537
IUPAC Name:
2-(4-methylphenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3
InChI Key:
ZSAGZTDFXXUAOE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ocnn1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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