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Home > Nitro Compounds > 1286275-14-6
1286275-14-6 | tert-Butyl 1-(4-nitrobenzoyl)piperidin-4-ylcarbamate
CAS No: 1286275-14-6 Catalog No: AG01F8GH MDL No:
Product Description
Catalog Number:
AG01F8GH
Chemical Name:
tert-Butyl 1-(4-nitrobenzoyl)piperidin-4-ylcarbamate
CAS Number:
1286275-14-6
Molecular Formula:
C17H23N3O5
Molecular Weight:
349.3816
IUPAC Name:
tert-butyl N-[1-(4-nitrobenzoyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)18-13-8-10-19(11-9-13)15(21)12-4-6-14(7-5-12)20(23)24/h4-7,13H,8-11H2,1-3H3,(H,18,22)
InChI Key:
WAHKFHNGKOJGIM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.387g/mol
Monoisotopic Mass:
349.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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