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Home > Nitro Compounds > 2059965-86-3
2059965-86-3 | tert-butyl N-[5-(4-nitrophenyl)-5-oxopentyl]carbamate
CAS No: 2059965-86-3 Catalog No: AG01BORL MDL No:MFCD30499480
Product Description
Catalog Number:
AG01BORL
Chemical Name:
tert-butyl N-[5-(4-nitrophenyl)-5-oxopentyl]carbamate
CAS Number:
2059965-86-3
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD30499480
IUPAC Name:
tert-butyl N-[5-(4-nitrophenyl)-5-oxopentyl]carbamate
InChI:
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)17-11-5-4-6-14(19)12-7-9-13(10-8-12)18(21)22/h7-10H,4-6,11H2,1-3H3,(H,17,20)
InChI Key:
ZHGFNJXCLCVJTH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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