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Home > Nitro Compounds > 121613-51-2
121613-51-2 | Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-
CAS No: 121613-51-2 Catalog No: AG0015EK MDL No:
Product Description
Catalog Number:
AG0015EK
Chemical Name:
Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-
CAS Number:
121613-51-2
Molecular Formula:
C21H26N2O4
Molecular Weight:
370.4421
IUPAC Name:
3,5-ditert-butyl-4-hydroxy-N-(4-nitrophenyl)benzamide
InChI:
InChI=1S/C21H26N2O4/c1-20(2,3)16-11-13(12-17(18(16)24)21(4,5)6)19(25)22-14-7-9-15(10-8-14)23(26)27/h7-12,24H,1-6H3,(H,22,25)
InChI Key:
CLNBSVLNDIEZNG-UHFFFAOYSA-N
SMILES:
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.449g/mol
Monoisotopic Mass:
370.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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