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Home > Fluorides > 1174044-71-3
1174044-71-3 | Benzoic acid, 5-[(3,4-dihydro-8-methoxy-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
CAS No: 1174044-71-3 Catalog No: AG000E94 MDL No:MFCD17676149
Product Description
Catalog Number:
AG000E94
Chemical Name:
Benzoic acid, 5-[(3,4-dihydro-8-methoxy-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
CAS Number:
1174044-71-3
Molecular Formula:
C17H13FN2O4
Molecular Weight:
328.2945
MDL Number:
MFCD17676149
IUPAC Name:
2-fluoro-5-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C17H13FN2O4/c1-24-14-4-2-3-10-15(14)13(19-20-16(10)21)8-9-5-6-12(18)11(7-9)17(22)23/h2-7H,8H2,1H3,(H,20,21)(H,22,23)
InChI Key:
UBFACEFMPYXIGD-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(n[nH]c2=O)Cc1ccc(c(c1)C(=O)O)F
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.299g/mol
Monoisotopic Mass:
328.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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