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420846-72-6

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420846-72-6 Structure

420846-72-6 Structure
IdentificationBack Directory
[Name]

3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
[CAS]

420846-72-6
[Synonyms]

3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]benzoic acid
3-[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic acid
Benzoic acid, 3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-
4-(5-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)-2-fluorobenzyl)phthalazin-1(2H)-one
[Molecular Formula]

C16H12N2O3
[MOL File]

420846-72-6.mol
[Molecular Weight]

280.28
Chemical PropertiesBack Directory
[density ]

1.36±0.1 g/cm3(Predicted)
[pka]

4.12±0.10(Predicted)
[InChI]

InChI=1S/C16H12N2O3/c19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,18,19)(H,20,21)
[InChIKey]

LOEQJTGFMWZFBM-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(CC2C3=C(C=CC=C3)C(=O)NN=2)=C1
Safety DataBack Directory
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid(420846-72-6)1HNMR
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