N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide


Chemical Name: N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
CAS Number: 133208-93-2
Product Number: AG0014EG(AGN-PC-0JMMML)
Synonyms:
MDL No: MFCD00897807
Molecular Formula: C19H20BrN2O4P
Molecular Weight: 451.2509

Identification/Properties


Computed Properties
Molecular Weight:
451.257g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
450.034g/mol
Monoisotopic Mass:
450.034g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
576
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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