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885126-34-1 | 2-((3-Iodo-1H-indazol-6-yl)thio)-N-methylbenzamide
CAS No: 885126-34-1 Catalog No: AG008A7Y MDL No:MFCD13183042
Product Description
Catalog Number:
AG008A7Y
Chemical Name:
2-((3-Iodo-1H-indazol-6-yl)thio)-N-methylbenzamide
CAS Number:
885126-34-1
Molecular Formula:
C15H12IN3OS
Molecular Weight:
409.2448
MDL Number:
MFCD13183042
IUPAC Name:
2-[(3-iodo-2H-indazol-6-yl)sulfanyl]-N-methylbenzamide
InChI:
InChI=1S/C15H12IN3OS/c1-17-15(20)11-4-2-3-5-13(11)21-9-6-7-10-12(8-9)18-19-14(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
InChI Key:
VHZLHFNNNDGPLF-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2I
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.975g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
409.245g/mol
Monoisotopic Mass:
408.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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