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Home > Bromides > 1233509-93-7
1233509-93-7 | 1-(2-Bromophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid phenylamide
CAS No: 1233509-93-7 Catalog No: AG01ER4E MDL No:
Product Description
Catalog Number:
AG01ER4E
Chemical Name:
1-(2-Bromophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid phenylamide
CAS Number:
1233509-93-7
Molecular Formula:
C15H11BrN4O2
Molecular Weight:
359.1774
IUPAC Name:
1-(2-bromophenyl)-5-oxo-N-phenyl-4H-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C15H11BrN4O2/c16-11-8-4-5-9-12(11)20-15(22)18-13(19-20)14(21)17-10-6-2-1-3-7-10/h1-9H,(H,17,21)(H,18,19,22)
InChI Key:
VRHYBLWUDUQWBX-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]n(c(=O)n1)c1ccccc1Br)Nc1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.183g/mol
Monoisotopic Mass:
358.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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