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5-bromo-2-cyclopropylisoindole-1,3-dione

5-bromo-2-cyclopropylisoindole-1,3-dione

CAS: 355829-50-4

Formula: C11H8BrNO2

SMILES: BrC1=CC2=C(C=C1)C(=O)N(C1CC1)C2=O

IUPAC: 5-bromo-2-cyclopropyl-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C11H8BrNO2/c12-6-1-4-8-9(5-6)11(15)13(10(8)14)7-2-3-7/h1,4-5,7H,2-3H2

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.973842
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FQZPROOCAFURPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.05
Topological Polar Surface Area 37.38
Polarizability 21.86
Ring Count 3
Rotatable Bond Count 1

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