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Home > Nitro Compounds > 2059947-84-9
2059947-84-9 | tert-butyl N-[6-(4-nitrophenyl)-6-oxohexyl]carbamate
CAS No: 2059947-84-9 Catalog No: AG01BORV MDL No:MFCD30499488
Product Description
Catalog Number:
AG01BORV
Chemical Name:
tert-butyl N-[6-(4-nitrophenyl)-6-oxohexyl]carbamate
CAS Number:
2059947-84-9
Molecular Formula:
C17H24N2O5
Molecular Weight:
336.3829
MDL Number:
MFCD30499488
IUPAC Name:
tert-butyl N-[6-(4-nitrophenyl)-6-oxohexyl]carbamate
InChI:
InChI=1S/C17H24N2O5/c1-17(2,3)24-16(21)18-12-6-4-5-7-15(20)13-8-10-14(11-9-13)19(22)23/h8-11H,4-7,12H2,1-3H3,(H,18,21)
InChI Key:
BJIVFGKGGCXALV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.388g/mol
Monoisotopic Mass:
336.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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