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2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid

CAS: 313260-34-3

Formula: C15H7Cl2NO4

SMILES: OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=CC(Cl)=C1Cl

IUPAC: 2-(2,3-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

InChI: InChI=1S/C15H7Cl2NO4/c16-10-2-1-3-11(12(10)17)18-13(19)8-5-4-7(15(21)22)6-9(8)14(18)20/h1-6H,(H,21,22)

Composition: C (53.60%), H (2.10%), Cl (21.09%), N (4.17%), O (19.04%)

Molar Mass: 336.12

Atom Count: 29

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 334.9752131
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NIYITOBHYIPJJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.85
Topological Polar Surface Area 74.68
Polarizability 30.36
Ring Count 3
Rotatable Bond Count 2

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