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Home > Bromides > 1020252-87-2
1020252-87-2 | 1,3,4-Oxadiazole, 2-(3-bromophenyl)-5-(trichloromethyl)-
CAS No: 1020252-87-2 Catalog No: AG0006CH MDL No:MFCD09972142
Product Description
Catalog Number:
AG0006CH
Chemical Name:
1,3,4-Oxadiazole, 2-(3-bromophenyl)-5-(trichloromethyl)-
CAS Number:
1020252-87-2
Molecular Formula:
C9H4BrCl3N2O
Molecular Weight:
342.4039
MDL Number:
MFCD09972142
IUPAC Name:
2-(3-bromophenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H4BrCl3N2O/c10-6-3-1-2-5(4-6)7-14-15-8(16-7)9(11,12)13/h1-4H
InChI Key:
TVCDMVZZAMQXJW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nnc(o1)C(Cl)(Cl)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.857g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
339.857g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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