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1472642-26-4

1472642-26-4 | 2H-Indol-2-one, 5-bromo-1,3-dihydro-3-(4-piperidinyl)-

CAS No: 1472642-26-4 Catalog No: AG001EQM MDL No:

Product Description

Catalog Number:
AG001EQM
Chemical Name:
2H-Indol-2-one, 5-bromo-1,3-dihydro-3-(4-piperidinyl)-
CAS Number:
1472642-26-4
Molecular Formula:
C13H15BrN2O
Molecular Weight:
295.1750
IUPAC Name:
5-bromo-3-piperidin-4-yl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C13H15BrN2O/c14-9-1-2-11-10(7-9)12(13(17)16-11)8-3-5-15-6-4-8/h1-2,7-8,12,15H,3-6H2,(H,16,17)
InChI Key:
BVKIQPDDFBVNIH-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C1CCNCC1)cc(cc2)Br

Properties

Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.037g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.18g/mol
Monoisotopic Mass:
294.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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