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571189-16-7 | tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
CAS No: 571189-16-7 Catalog No: AG0037KZ MDL No:MFCD11849291
Product Description
Catalog Number:
AG0037KZ
Chemical Name:
tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
CAS Number:
571189-16-7
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
MDL Number:
MFCD11849291
IUPAC Name:
tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3
InChI Key:
SUWKOEMQNOBJEQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-])OC(C)(C)C
EC Number:
801-163-8
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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