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Home > Fluorides > 888951-64-2
888951-64-2 | (S)-5-Fluoro-1-(2-fluorophenyl)-3-(piperidin-3-ylmethoxy)-1H-indazole
CAS No: 888951-64-2 Catalog No: AG00492T MDL No:
Product Description
Catalog Number:
AG00492T
Chemical Name:
(S)-5-Fluoro-1-(2-fluorophenyl)-3-(piperidin-3-ylmethoxy)-1H-indazole
CAS Number:
888951-64-2
Molecular Formula:
C19H19F2N3O
Molecular Weight:
343.3705
IUPAC Name:
5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
InChI:
InChI=1S/C19H19F2N3O/c20-14-7-8-17-15(10-14)19(25-12-13-4-3-9-22-11-13)23-24(17)18-6-2-1-5-16(18)21/h1-2,5-8,10,13,22H,3-4,9,11-12H2/t13-/m0/s1
InChI Key:
JHRTWDXHSXLUJD-ZDUSSCGKSA-N
SMILES:
Fc1ccc2c(c1)c(OC[C@H]1CCCNC1)nn2c1ccccc1F
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.378g/mol
Monoisotopic Mass:
343.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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