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Home Carboxys tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

CAS No.:
1056024-38-4
Catalog Number:
AG0096VJ
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$169
- +
5g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG0096VJ
Chemical Name:
tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CAS Number:
1056024-38-4
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
MDL Number:
MFCD14155812
IUPAC Name:
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(17)14-5-4-9(7-14)15-8-10(6-13-15)16(18)19/h6,8-9H,4-5,7H2,1-3H3
InChI Key:
VYHFLIFNGPQXEV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties