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Home > Bromides > 1191252-49-9
1191252-49-9 | 1,2,4-Oxadiazole-5-carboxamide, 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-
CAS No: 1191252-49-9 Catalog No: AG000P5O MDL No:MFCD25977119
Product Description
Catalog Number:
AG000P5O
Chemical Name:
1,2,4-Oxadiazole-5-carboxamide, 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-
CAS Number:
1191252-49-9
Molecular Formula:
C22H15Br2N3O4
Molecular Weight:
545.1802
MDL Number:
MFCD25977119
IUPAC Name:
3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
InChI:
InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)
InChI Key:
DSFNLJXHXBIKDS-UHFFFAOYSA-N
SMILES:
O=C(c1onc(n1)c1cc(Br)c(c(c1)Br)O)NCc1ccc(cc1)Oc1ccccc1
UNII:
8Y3GDT6YWV
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.941g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
545.187g/mol
Monoisotopic Mass:
542.943g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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