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Home > Nitro Compounds > 52944-15-7
52944-15-7 | N-(2-hydroxy-1,1-dimethylethyl)-2-nitrobenzamide
CAS No: 52944-15-7 Catalog No: AG00JH2C MDL No:MFCD07658152
Product Description
Catalog Number:
AG00JH2C
Chemical Name:
N-(2-hydroxy-1,1-dimethylethyl)-2-nitrobenzamide
CAS Number:
52944-15-7
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD07658152
IUPAC Name:
N-(1-hydroxy-2-methylpropan-2-yl)-2-nitrobenzamide
InChI:
InChI=1S/C11H14N2O4/c1-11(2,7-14)12-10(15)8-5-3-4-6-9(8)13(16)17/h3-6,14H,7H2,1-2H3,(H,12,15)
InChI Key:
RIVIODQCJJXJNC-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)c1ccccc1[N+](=O)[O-])(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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