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Pyr10

CAS No.:
1315323-00-2
Catalog Number:
AG009CJX
Molecular Formula:
C18H13F6N3O2S
Molecular Weight:
449.3701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$148
- +
10mg
99%
1 week
United States
$207
- +
50mg
99%
1 week
United States
$657
- +
Product Description
Catalog Number:
AG009CJX
Chemical Name:
Pyr10
CAS Number:
1315323-00-2
Molecular Formula:
C18H13F6N3O2S
Molecular Weight:
449.3701
MDL Number:
MFCD28411625
IUPAC Name:
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C18H13F6N3O2S/c1-11-2-8-14(9-3-11)30(28,29)26-12-4-6-13(7-5-12)27-16(18(22,23)24)10-15(25-27)17(19,20)21/h2-10,26H,1H3
InChI Key:
CVALMMCIOLXHDM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
678  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.063g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
449.371g/mol
Monoisotopic Mass:
449.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties