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Home > Nitro Compounds > 2060039-56-5
2060039-56-5 | tert-butyl N-[4-(2-nitrophenyl)-4-oxobutyl]carbamate
CAS No: 2060039-56-5 Catalog No: AG01BOS5 MDL No:MFCD30499497
Product Description
Catalog Number:
AG01BOS5
Chemical Name:
tert-butyl N-[4-(2-nitrophenyl)-4-oxobutyl]carbamate
CAS Number:
2060039-56-5
Molecular Formula:
C15H20N2O5
Molecular Weight:
308.3297
MDL Number:
MFCD30499497
IUPAC Name:
tert-butyl N-[4-(2-nitrophenyl)-4-oxobutyl]carbamate
InChI:
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(19)16-10-6-9-13(18)11-7-4-5-8-12(11)17(20)21/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,19)
InChI Key:
NNLWZCYUAGLRDM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.334g/mol
Monoisotopic Mass:
308.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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