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Home > Nitro Compounds > 52944-14-6
52944-14-6 | N-(2-hydroxy-1,1-dimethylethyl)-3-nitrobenzamide
CAS No: 52944-14-6 Catalog No: AG00J87I MDL No:MFCD00451523
Product Description
Catalog Number:
AG00J87I
Chemical Name:
N-(2-hydroxy-1,1-dimethylethyl)-3-nitrobenzamide
CAS Number:
52944-14-6
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD00451523
IUPAC Name:
N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
InChI:
InChI=1S/C11H14N2O4/c1-11(2,7-14)12-10(15)8-4-3-5-9(6-8)13(16)17/h3-6,14H,7H2,1-2H3,(H,12,15)
InChI Key:
OULOSRLXJMGQBI-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)c1cccc(c1)[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:
0.9
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