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400082-04-4 | 4-fluoro-N-{[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline
CAS No: 400082-04-4 Catalog No: AG01FOMF MDL No:
Product Description
Catalog Number:
AG01FOMF
Chemical Name:
4-fluoro-N-{[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline
CAS Number:
400082-04-4
IUPAC Name:
4-fluoro-N-[[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline
InChI:
InChI=1S/C18H14F5N3S/c1-26-17(27-14-8-4-12(20)5-9-14)15(16(25-26)18(21,22)23)10-24-13-6-2-11(19)3-7-13/h2-9,24H,10H2,1H3
InChI Key:
YWGBJZOFVJXKJU-UHFFFAOYSA-N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.083g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.383g/mol
Monoisotopic Mass:
399.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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