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Home > Nitro Compounds > 380426-88-0
380426-88-0 | N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
CAS No: 380426-88-0 Catalog No: AG019H9U MDL No:MFCD03150452
Product Description
Catalog Number:
AG019H9U
Chemical Name:
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
CAS Number:
380426-88-0
Molecular Formula:
C16H18N2O5S
Molecular Weight:
350.3895
MDL Number:
MFCD03150452
IUPAC Name:
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C16H18N2O5S/c1-12(16(19)13-6-4-3-5-7-13)17(2)24(22,23)15-10-8-14(9-11-15)18(20)21/h3-12,16,19H,1-2H3
InChI Key:
XSMOERJRFABHMJ-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)C(c1ccccc1)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.389g/mol
Monoisotopic Mass:
350.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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