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5-bromo-2H-1-benzofuran-3-one

5-bromo-2H-1-benzofuran-3-one

CAS: 54450-20-3

Formula: C8H5BrO2

SMILES: BrC1=CC2=C(OCC2=O)C=C1

IUPAC: 5-bromo-2,3-dihydro-1-benzofuran-3-one

InChI: InChI=1S/C8H5BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2

Composition: C (45.11%), H (2.37%), Br (37.51%), O (15.02%)

Molar Mass: 213.03

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.947292
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UXUCDQLDYILHQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.99
Topological Polar Surface Area 26.3
Polarizability 16.92
Ring Count 2
Rotatable Bond Count 0

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99.92% <7 Days 54450-20-3 $37.40-$356.24$37.40$133.71$159.89$356.24
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