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3-(5-bromo-1-benzofuran-2-yl)-3-oxopropanenitrile

3-(5-bromo-1-benzofuran-2-yl)-3-oxopropanenitrile

CAS: 1135283-25-8

Formula: C11H6BrNO2

SMILES: BrC1=CC=C2OC(=CC2=C1)C(=O)CC#N

IUPAC: 3-(5-bromo-1-benzofuran-2-yl)-3-oxopropanenitrile

InChI: InChI=1S/C11H6BrNO2/c12-8-1-2-10-7(5-8)6-11(15-10)9(14)3-4-13/h1-2,5-6H,3H2

Composition: C (50.03%), H (2.29%), Br (30.26%), N (5.30%), O (12.12%)

Molar Mass: 264.078

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.958191
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NQWCBYYXSVRBQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.13
Topological Polar Surface Area 54
Polarizability 22.93
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1135283-25-8 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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