AG005E6Y

763114-26-7 | 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

AG005E6Y

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CAS Number	763114-26-7
Catalog Number	AG005E6Y(AGN-PC-04RT3O)
Chemical Name	2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
IUPAC Name	2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
InChI	InChI=1S/C16H11FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)(H,21,22)
InChI Key	PAXLJNGPFJEKQX-UHFFFAOYSA-N
MDL Number	MFCD14636678
Molecular Formula	C16H11FN2O3
Molecular Weight	298.2685
SMILES	OC(=O)C1=C(F)C=CC(CC2=NNC(=O)C3=CC=CC=C23)=C1
Synonyms	763114-26-7, 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid, 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid, AK-79775, Benzoic acid, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-, C16H11FN2O3, 2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid, SCHEMBL78452, AMBZ0090, CTK8B7330, DTXSID20647416, PAXLJNGPFJEKQX-UHFFFAOYSA-N, BCP01659, CS-M1900, ZX-RL000497, ANW-57040, MFCD14636678, RB3259, ZINC82046554, AKOS015996964, AM85904, MP-1903, SB17769, SS-4579, KS-0000066Y, AC-29313, PC200051, SC-91894, SY033510, AB0049419, AJ-124249, AX8224759, 4CH-011341, FT-0688443, Z5110, MFCD14636678 (95%), 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Meth, 2-Fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid, 2-fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-benzoic acid, 2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)benzoic acid, 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl);methyl);benzoic acid, 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1 -yl)methyl]benzoic acid, 2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazine-1-yl)methyl]benzoic acid, ACN-036809, 2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.075g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	298.273g/mol
Monoisotopic Mass	298.075g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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