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Home Other Building Blocks 2-Nitro-5-piperazin-1-yl-benzoic acid

2-Nitro-5-piperazin-1-yl-benzoic acid

CAS No.:
183622-35-7
Catalog Number:
AG0027SD
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$41
- +
250mg
95%
In Stock USA
United States
$79
- +
1g
95%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG0027SD
Chemical Name:
2-Nitro-5-piperazin-1-yl-benzoic acid
CAS Number:
183622-35-7
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD09991733
IUPAC Name:
2-nitro-5-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13N3O4/c15-11(16)9-7-8(1-2-10(9)14(17)18)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2,(H,15,16)
InChI Key:
BTBYYNWGQJULDK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties