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857532-43-5 | Piperidine, 4-(2-chloro-3-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS No: 857532-43-5 Catalog No: AG004OVO MDL No:
Product Description
Catalog Number:
AG004OVO
Chemical Name:
Piperidine, 4-(2-chloro-3-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number:
857532-43-5
Molecular Formula:
C20H19ClFN3
Molecular Weight:
355.8364
IUPAC Name:
4-(2-chloro-3-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
InChI:
InChI=1S/C20H19ClFN3/c21-19-17(2-1-3-18(19)22)20(8-10-23-11-9-20)16-6-4-14(5-7-16)15-12-24-25-13-15/h1-7,12-13,23H,8-11H2,(H,24,25)
InChI Key:
USUVTKQVEFVSHN-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cl)C1(CCNCC1)c1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.841g/mol
Monoisotopic Mass:
355.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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