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821807-60-7 | 1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-[4-(trifluoromethyl)phenyl]-
CAS No: 821807-60-7 Catalog No: AG005HWL MDL No:
Product Description
Catalog Number:
AG005HWL
Chemical Name:
1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
821807-60-7
Molecular Formula:
C15H8BrF3N2O
Molecular Weight:
369.1360
IUPAC Name:
2-(4-bromophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C15H8BrF3N2O/c16-12-7-3-10(4-8-12)14-21-20-13(22-14)9-1-5-11(6-2-9)15(17,18)19/h1-8H
InChI Key:
SARBXLKFSDWWMO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnc(o1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.977g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.141g/mol
Monoisotopic Mass:
367.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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