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Home > Nitro Compounds > 101354-47-6
101354-47-6 | Benzamide, 4-nitro-N-(1,1,3,3-tetramethylbutyl)-
CAS No: 101354-47-6 Catalog No: AG0004AR MDL No:MFCD00831523
Product Description
Catalog Number:
AG0004AR
Chemical Name:
Benzamide, 4-nitro-N-(1,1,3,3-tetramethylbutyl)-
CAS Number:
101354-47-6
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
MDL Number:
MFCD00831523
IUPAC Name:
4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
InChI:
InChI=1S/C15H22N2O3/c1-14(2,3)10-15(4,5)16-13(18)11-6-8-12(9-7-11)17(19)20/h6-9H,10H2,1-5H3,(H,16,18)
InChI Key:
OACGEWWFPVXRGO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NC(CC(C)(C)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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