Home Nitro Compounds 1116229-11-8
1116229-11-8,MFCD26400580
Catalog No.:AA008ZR6
1116229-11-8 | 1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone
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250mg
95%
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$301.00   $211.00
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1g
95%
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$677.00   $474.00
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Technical Information
Catalog Number:
AA008ZR6
Chemical Name:
1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone
CAS Number:
1116229-11-8
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
MDL Number:
MFCD26400580
IUPAC Name:
1-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H17N3O4/c1-10(17)14-5-7-15(8-6-14)11-3-4-12(16(18)19)13(9-11)20-2/h3-4,9H,5-8H2,1-2H3
InChI Key:
GUTDYFMBYFDQBU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C
Properties
Computed Properties
 
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1-(4-(3-methoxy-4-nitrophenyl)piperazin-1-yl)ethanone 
1116229-11-8 
DA-15461 
CS-0055759 
FT-0767365 
Ethanone,1-[4-(3-methoxy-4-nitrophenyl)-1-piperazinyl]- 
938043-30-2 
1-acetyl-4-[3-(methyloxy)-4-nitrophenyl]piperazine 
1-(4-(3-methoxy-4-nitrophenyl)piperazin-1-yl)ethan-1-one 
1-[4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl]ethan-1-one 
SCHEMBL2205083 
GUTDYFMBYFDQBU-UHFFFAOYSA-N 
MFCD26400580 
AKOS027253565 
ZINC118292140 
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