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2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dione

2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dione

CAS: 120739-60-8

Formula: C14H9ClN2O2

SMILES: ClC1=NC=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C1

IUPAC: 2-[(6-chloropyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C14H9ClN2O2/c15-12-6-5-9(7-16-12)8-17-13(18)10-3-1-2-4-11(10)14(17)19/h1-7H,8H2

Composition: C (61.67%), H (3.33%), Cl (13.00%), N (10.27%), O (11.73%)

Molar Mass: 272.69

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.0352552
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VJWRGOSBPDZVMI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.53
Topological Polar Surface Area 50.27
Polarizability 26.62
Ring Count 3
Rotatable Bond Count 2

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