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1000339-25-2 | 1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(2-fluorophenyl)-
CAS No: 1000339-25-2 Catalog No: AG0000CN MDL No:MFCD09878375
Product Description
Catalog Number:
AG0000CN
Chemical Name:
1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(2-fluorophenyl)-
CAS Number:
1000339-25-2
Molecular Formula:
C14H8BrFN2O
Molecular Weight:
319.1285
MDL Number:
MFCD09878375
IUPAC Name:
3-(2-bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrFN2O/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChI Key:
BJEBCCKIVRWKGV-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1onc(n1)c1ccccc1Br
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.98g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.133g/mol
Monoisotopic Mass:
317.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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