AC1NKHTL

4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalic acid

Also Known As: Oprea1_793528|A0380/0017472|4-(4-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenoxy)benzene-1,2-dicarboxylic acid|4-[4-[1,3-Dihydro-5-(3-nitrobenzoyl)-1,3-dioxo-2H-isoindol-2-yl]phenoxy]-1,2-benzenedicarboxylic acid|4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalic acid|4-(4-(1,3-Dihydro-5-(3-nitrobenzoyl)-1,3-dioxo-2H-isoindol-2-yl)phenoxy)-1,2-benzenedicarboxylic acid|4-{4-[5-(3-Nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}benzene-1,2-dicarboxylic acid|4-{4-[5-(3-NITROBENZOYL)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]PHENOXY}PHTHALIC ACID

Molecular Formula	C29H16N2O10
Molecular Weight	552.0805 g/mol
LogP	4.8151
Topological Polar Surface Area	181.42 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	552.0805
Monoisotopic Mass	552.0805
Heavy Atoms	41
Complexity	1811.0245

Chemical Identifiers

CAS Number	339059-85-7
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)C(=O)O)C(=O)O