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Home > Nitro Compounds > 939986-23-9
939986-23-9 | (3'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-carbaMic acid tert-butyl ester, 98+% C15H22N4O4, MW
CAS No: 939986-23-9 Catalog No: AG00H1GE MDL No:MFCD09607535
Product Description
Catalog Number:
AG00H1GE
Chemical Name:
(3'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-carbaMic acid tert-butyl ester, 98+% C15H22N4O4, MW
CAS Number:
939986-23-9
MDL Number:
MFCD09607535
IUPAC Name:
tert-butyl N-[1-(3-nitropyridin-2-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C15H22N4O4/c1-15(2,3)23-14(20)17-11-6-5-9-18(10-11)13-12(19(21)22)7-4-8-16-13/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)
InChI Key:
XNNJQKRCWBAAAV-UHFFFAOYSA-N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.365g/mol
Monoisotopic Mass:
322.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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