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332127-67-0 | 2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,4,6-trichloro-phenyl)-acetamide
CAS No: 332127-67-0 Catalog No: AG01EV3W MDL No:
Product Description
Catalog Number:
AG01EV3W
Chemical Name:
2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,4,6-trichloro-phenyl)-acetamide
CAS Number:
332127-67-0
Molecular Formula:
C16H10BrCl3N4OS
Molecular Weight:
492.6048
IUPAC Name:
2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
InChI:
InChI=1S/C16H10BrCl3N4OS/c17-9-3-1-2-8(4-9)15-22-16(24-23-15)26-7-13(25)21-14-11(19)5-10(18)6-12(14)20/h1-6H,7H2,(H,21,25)(H,22,23,24)
InChI Key:
ZMRCHIADZDNZJB-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(Cl)cc(cc1Cl)Cl)CSc1[nH]nc(n1)c1cccc(c1)Br
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.882g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.597g/mol
Monoisotopic Mass:
489.882g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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