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

CAS No.:
1314987-79-5
Catalog Number:
AG00A0LD
Molecular Formula:
C11H16N4O4
Molecular Weight:
268.2691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$157
- +
5g
98%
In Stock USA
United States
$485
- +
Product Description
Catalog Number:
AG00A0LD
Chemical Name:
tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)azetidine-1-carboxylate
CAS Number:
1314987-79-5
Molecular Formula:
C11H16N4O4
Molecular Weight:
268.2691
MDL Number:
MFCD14155811
IUPAC Name:
tert-butyl 3-(4-nitropyrazol-1-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(16)13-5-9(6-13)14-7-8(4-12-14)15(17)18/h4,7,9H,5-6H2,1-3H3
InChI Key:
IOGPBTPTPJYTFK-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.273g/mol
Monoisotopic Mass:
268.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties