2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid


Chemical Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
CAS Number: 72702-95-5
Product Number: AG005PTL(AGN-PC-0JK76W)
Synonyms:
MDL No: MFCD00204117
Molecular Formula: C17H12BrFN2O3
Molecular Weight: 391.1912

Identification/Properties


Properties
MP:
184-186℃ (DEC.)
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
391.196g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
390.002g/mol
Monoisotopic Mass:
390.002g/mol
Topological Polar Surface Area:
70A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
542
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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