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Home Carboxys 1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine

1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine

CAS No.:
183622-36-8
Catalog Number:
AG0027SC
Molecular Formula:
C16H21N3O6
Molecular Weight:
351.3544
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$50
- +
1g
95%
In Stock USA
United States
$99
- +
5g
95%
In Stock USA
United States
$295
- +
Product Description
Catalog Number:
AG0027SC
Chemical Name:
1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine
CAS Number:
183622-36-8
Molecular Formula:
C16H21N3O6
Molecular Weight:
351.3544
MDL Number:
MFCD09878788
IUPAC Name:
5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-nitrobenzoic acid
InChI:
InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)11-4-5-13(19(23)24)12(10-11)14(20)21/h4-5,10H,6-9H2,1-3H3,(H,20,21)
InChI Key:
UURLRAAZXIBLIQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.143g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.359g/mol
Monoisotopic Mass:
351.143g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties