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

CAS: 72702-95-5

Molecular Formula	`C17H12BrFN2O3`
Molecular Weight	391.2 g/mol
LogP	3.2
Topological Polar Surface Area	70.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	390.00153
Heavy Atoms	24
Complexity	542.0

Chemical Identifiers

CAS Number	72702-95-5
SMILES	`C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O`
InChIKey	`LKBFFDOJUKLQNY-UHFFFAOYSA-N`

📖 Product Overview

2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid (CAS: 72702-95-5) is a chemical compound with molecular formula C17H12BrFN2O3 and molecular weight 391.2 g/mol. Its IUPAC systematic name is 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid. LogP 3.2 Topological Polar Surface Area 70.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 390.00153 Heavy Atoms 24 Complexity 542.0 InChI Key: LKBFFDOJUKLQNY-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O.

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