3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

Name: 3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
Brand: ChemScene
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CAS No. 1174044-69-9
Cat. No. CS-0476252
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid|CS-0476252

Structure of 1174044-69-9

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General Information

CAS No. 1174044-69-9
Cat. No. CS-0476252
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₁ClN₂O₃
Molecular Weight 314.72
Synonym(s) 3-[(8-chloro-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
SMILES OC(=O)C1=CC=CC(CC2=NNC(=O)C3=CC=CC(Cl)=C23)=C1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 83.05
LogP 2.8655
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Phthalazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

CAS No. 1174044-69-9

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