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3-bromo-5-hydroxybenzonitrile

3-bromo-5-hydroxybenzonitrile

CAS: 770718-92-8

Formula: C7H4BrNO

SMILES: OC1=CC(=CC(Br)=C1)C#N

IUPAC: 3-bromo-5-hydroxybenzonitrile

InChI: InChI=1S/C7H4BrNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H

Composition: C (42.46%), H (2.04%), Br (40.35%), N (7.07%), O (8.08%)

Molar Mass: 198.019

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.947627
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CFHJXQLPUIYWNM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.38
Topological Polar Surface Area 44.02
Polarizability 15.65
Ring Count 1
Rotatable Bond Count 0

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98% <7 Days 770718-92-8 $10.35-$353.97$10.35$16.56$28.98$115.92$207.00$353.97
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98% <6 Days 770718-92-8 $11.50-$248.40$11.50$19.55$33.35$139.15$248.40
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