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1017781-49-5,MFCD09997718
Catalog No.:AA0005F5
1017781-49-5 | tert-Butyl 4-(3-(4-bromophenyl)-3-oxopropanoyl)piperidine-1-carboxylate
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$789.00   $552.00
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Technical Information
Catalog Number:
AA0005F5
Chemical Name:
tert-Butyl 4-(3-(4-bromophenyl)-3-oxopropanoyl)piperidine-1-carboxylate
CAS Number:
1017781-49-5
Molecular Formula:
C19H24BrNO4
Molecular Weight:
410.3022
MDL Number:
MFCD09997718
IUPAC Name:
tert-butyl 4-[3-(4-bromophenyl)-3-oxopropanoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C19H24BrNO4/c1-19(2,3)25-18(24)21-10-8-14(9-11-21)17(23)12-16(22)13-4-6-15(20)7-5-13/h4-7,14H,8-12H2,1-3H3
InChI Key:
HYPNRUMOHGUQHU-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)CC(=O)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.089g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.308g/mol
Monoisotopic Mass:
409.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1017781-49-5 
tert-Butyl 4-(3-(4-bromophenyl)-3-oxopropanoyl)piperidine-1-carboxylate 
ACN-045323 
DS-8354 
AK155295 
AX8289875 
CS-0060927 
4-3-(4-Bromo-phenyl)-3-oxo-propionyl-piperidine-1-carboxylic acid tert-butyl ester 
1-Piperidinecarboxylic acid, 4-[3-(4-bromophenyl)-1,3-dioxopropyl]-, 1,1-dimethylethyl ester 
C19H24BrNO4 
4-[3-(4-BROMO-PHENYL)-3-OXO-PROPIONYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 
tert-butyl 4-[3-(4-bromophenyl)-3-oxopropanoyl]piperidine-1-carboxylate 
DTXSID90678111 
KS-00000SD8 
2600AJ 
MFCD09997718 
AKOS024260992 
ZINC100175607 
Literature
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