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Home > Nitro Compounds > 1286263-46-4
1286263-46-4 | tert-Butyl 1-(2-nitrobenzoyl)piperidin-4-ylcarbamate
CAS No: 1286263-46-4 Catalog No: AG01F8G3 MDL No:
Product Description
Catalog Number:
AG01F8G3
Chemical Name:
tert-Butyl 1-(2-nitrobenzoyl)piperidin-4-ylcarbamate
CAS Number:
1286263-46-4
Molecular Formula:
C17H23N3O5
Molecular Weight:
349.3816
IUPAC Name:
tert-butyl N-[1-(2-nitrobenzoyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)18-12-8-10-19(11-9-12)15(21)13-6-4-5-7-14(13)20(23)24/h4-7,12H,8-11H2,1-3H3,(H,18,22)
InChI Key:
RSXURINQSIQQFM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
503
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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