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Home Carboxys tert-Butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate

tert-Butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate

CAS No.:
1201916-87-1
Catalog Number:
AG00HFAD
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$169
- +
5g
98%
In Stock USA
United States
$432
- +
10g
98%
In Stock USA
United States
$750
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00HFAD
Chemical Name:
tert-Butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS Number:
1201916-87-1
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
MDL Number:
MFCD14155810
IUPAC Name:
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(18)15-6-4-10(5-7-15)16-9-11(8-14-16)17(19)20/h8-10H,4-7H2,1-3H3
InChI Key:
JKRMWACLUFEWPC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.148g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.327g/mol
Monoisotopic Mass:
296.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties