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88773-98-2 | Benzamide, N-[2-(3-hydroxy-3-methylbutyl)phenyl]-2-(trifluoromethyl)-
CAS No: 88773-98-2 Catalog No: AG004B8G MDL No:
Product Description
Catalog Number:
AG004B8G
Chemical Name:
Benzamide, N-[2-(3-hydroxy-3-methylbutyl)phenyl]-2-(trifluoromethyl)-
CAS Number:
88773-98-2
Molecular Formula:
C19H20F3NO2
Molecular Weight:
351.3628
IUPAC Name:
N-[2-(3-hydroxy-3-methylbutyl)phenyl]-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C19H20F3NO2/c1-18(2,25)12-11-13-7-3-6-10-16(13)23-17(24)14-8-4-5-9-15(14)19(20,21)22/h3-10,25H,11-12H2,1-2H3,(H,23,24)
InChI Key:
SPAYVWYJRJUFBE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(F)(F)F)Nc1ccccc1CCC(O)(C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.369g/mol
Monoisotopic Mass:
351.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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