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821784-77-4 | Phenol, 4-[5-[[[3-(trifluoromethoxy)phenyl]methyl]amino]-3-pyridinyl]-
CAS No: 821784-77-4 Catalog No: AG005I6I MDL No:
Product Description
Catalog Number:
AG005I6I
Chemical Name:
Phenol, 4-[5-[[[3-(trifluoromethoxy)phenyl]methyl]amino]-3-pyridinyl]-
CAS Number:
821784-77-4
Molecular Formula:
C19H15F3N2O2
Molecular Weight:
360.3298
IUPAC Name:
4-[5-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]phenol
InChI:
InChI=1S/C19H15F3N2O2/c20-19(21,22)26-18-3-1-2-13(8-18)10-24-16-9-15(11-23-12-16)14-4-6-17(25)7-5-14/h1-9,11-12,24-25H,10H2
InChI Key:
PLWWBNHOUOPASK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cncc(c1)NCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.336g/mol
Monoisotopic Mass:
360.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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