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Home > Fluorides > 820971-97-9
820971-97-9 | 2-Propanone, 1-(3,5-difluorophenyl)-1-[1-(diphenylmethyl)-3-azetidinyl]-
CAS No: 820971-97-9 Catalog No: AG005BXH MDL No:
Product Description
Catalog Number:
AG005BXH
Chemical Name:
2-Propanone, 1-(3,5-difluorophenyl)-1-[1-(diphenylmethyl)-3-azetidinyl]-
CAS Number:
820971-97-9
Molecular Formula:
C25H23F2NO
Molecular Weight:
391.4530
IUPAC Name:
1-(1-benzhydrylazetidin-3-yl)-1-(3,5-difluorophenyl)propan-2-one
InChI:
InChI=1S/C25H23F2NO/c1-17(29)24(20-12-22(26)14-23(27)13-20)21-15-28(16-21)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,21,24-25H,15-16H2,1H3
InChI Key:
XCMSRZVOALDKNW-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)C(C1CN(C1)C(c1ccccc1)c1ccccc1)C(=O)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.175g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.462g/mol
Monoisotopic Mass:
391.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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