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1958100-69-0 |
CAS No: 1958100-69-0 Catalog No: AG01FLTH MDL No:
Product Description
Catalog Number:
AG01FLTH
CAS Number:
1958100-69-0
IUPAC Name:
N-[1-tert-butyl-4-(5-chloro-2-hydroxyphenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C15H15ClF3N3O2/c1-14(2,3)22-7-10(9-6-8(16)4-5-11(9)23)12(21-22)20-13(24)15(17,18)19/h4-7,23H,1-3H3,(H,20,21,24)
InChI Key:
QWBHZQVPCYFVHC-UHFFFAOYSA-N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.749g/mol
Monoisotopic Mass:
361.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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