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Home > Nitro Compounds > 2059970-59-9
2059970-59-9 | tert-butyl N-[5-(2-nitrophenyl)-5-oxopentyl]carbamate
CAS No: 2059970-59-9 Catalog No: AG01BORK MDL No:MFCD30499479
Product Description
Catalog Number:
AG01BORK
Chemical Name:
tert-butyl N-[5-(2-nitrophenyl)-5-oxopentyl]carbamate
CAS Number:
2059970-59-9
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD30499479
IUPAC Name:
tert-butyl N-[5-(2-nitrophenyl)-5-oxopentyl]carbamate
InChI:
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)17-11-7-6-10-14(19)12-8-4-5-9-13(12)18(21)22/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,17,20)
InChI Key:
MKMMQXZCOPGVOR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
425
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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