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Home > Nitro Compounds > 478040-53-8
478040-53-8 | N-(2-hydroxy-1-phenylethyl)-3-nitrobenzamide
CAS No: 478040-53-8 Catalog No: AG00IOSX MDL No:MFCD02186159
Product Description
Catalog Number:
AG00IOSX
Chemical Name:
N-(2-hydroxy-1-phenylethyl)-3-nitrobenzamide
CAS Number:
478040-53-8
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
MDL Number:
MFCD02186159
IUPAC Name:
N-(2-hydroxy-1-phenylethyl)-3-nitrobenzamide
InChI:
InChI=1S/C15H14N2O4/c18-10-14(11-5-2-1-3-6-11)16-15(19)12-7-4-8-13(9-12)17(20)21/h1-9,14,18H,10H2,(H,16,19)
InChI Key:
BYTPVRASXSQVDR-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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