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1000339-28-5 | 1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(2-chlorophenyl)-
CAS No: 1000339-28-5 Catalog No: AG0000CK MDL No:MFCD02217449
Product Description
Catalog Number:
AG0000CK
Chemical Name:
1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(2-chlorophenyl)-
CAS Number:
1000339-28-5
Molecular Formula:
C14H8BrClN2O
Molecular Weight:
335.5831
MDL Number:
MFCD02217449
IUPAC Name:
3-(2-bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrClN2O/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:
QXTCOSGKUMUJDY-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1onc(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:
333.951g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.585g/mol
Monoisotopic Mass:
333.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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