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89203-63-4

89203-63-4 | 3-Piperidinecarboxylic acid, 1-[4,4-bis(4-fluorophenyl)-3-butenyl]-

CAS No: 89203-63-4 Catalog No: AG0046B5 MDL No:

Product Description

Catalog Number:
AG0046B5
Chemical Name:
3-Piperidinecarboxylic acid, 1-[4,4-bis(4-fluorophenyl)-3-butenyl]-
CAS Number:
89203-63-4
Molecular Formula:
C22H23F2NO2
Molecular Weight:
371.4203
IUPAC Name:
1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C22H23F2NO2/c23-19-9-5-16(6-10-19)21(17-7-11-20(24)12-8-17)4-2-14-25-13-1-3-18(15-25)22(26)27/h4-12,18H,1-3,13-15H2,(H,26,27)
InChI Key:
UQQVGMKSPSXKKL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)CCC=C(c1ccc(cc1)F)c1ccc(cc1)F

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.17g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
371.428g/mol
Monoisotopic Mass:
371.17g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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