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Home > Nitro Compounds > 478040-50-5
478040-50-5 | N-(1-hydroxy-3-phenylpropan-2-yl)-3-nitrobenzamide
CAS No: 478040-50-5 Catalog No: AG00IY0Y MDL No:MFCD02186156
Product Description
Catalog Number:
AG00IY0Y
Chemical Name:
N-(1-hydroxy-3-phenylpropan-2-yl)-3-nitrobenzamide
CAS Number:
478040-50-5
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
MDL Number:
MFCD02186156
IUPAC Name:
N-(1-hydroxy-3-phenylpropan-2-yl)-3-nitrobenzamide
InChI:
InChI=1S/C16H16N2O4/c19-11-14(9-12-5-2-1-3-6-12)17-16(20)13-7-4-8-15(10-13)18(21)22/h1-8,10,14,19H,9,11H2,(H,17,20)
InChI Key:
MAJYFSCAILRNTF-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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