Home Bromides 1016769-81-5
1016769-81-5,MFCD09933024
Catalog No.:AA000534
1016769-81-5 | 1-(3-Bromophenyl)piperidin-4-one
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$86.00   $60.00
- +
5g
95%
in stock  
$258.00   $180.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA000534
Chemical Name:
1-(3-Bromophenyl)piperidin-4-one
CAS Number:
1016769-81-5
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD09933024
IUPAC Name:
1-(3-bromophenyl)piperidin-4-one
InChI:
InChI=1S/C11H12BrNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2
InChI Key:
QRHASCGAIQGKHB-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1-(3-BROMOPHENYL)PIPERIDIN-4-ONE 
1016769-81-5 
DB-058639 
FT-0737369 
1-(3-bromophenyl)piperidin-4-one, AldrichCPR 
1-(3-bromophenyl)-4-Piperidinone 
SCHEMBL3748579 
CTK4A0092 
DTXSID40640782 
QRHASCGAIQGKHB-UHFFFAOYSA-N 
ZINC19436681 
4-Piperidinone, 1-(3-bromophenyl)- 
AKOS000174351 
Literature
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