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5-bromo-2-chloro-4-hydroxybenzonitrile

5-bromo-2-chloro-4-hydroxybenzonitrile

CAS: 1259020-46-6

Formula: C7H3BrClNO

SMILES: OC1=CC(Cl)=C(C=C1Br)C#N

IUPAC: 5-bromo-2-chloro-4-hydroxybenzonitrile

InChI: InChI=1S/C7H3BrClNO/c8-5-1-4(3-10)6(9)2-7(5)11/h1-2,11H

Composition: C (36.17%), H (1.30%), Br (34.37%), Cl (15.25%), N (6.03%), O (6.88%)

Molar Mass: 232.46

Atom Count: 14

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.908654
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AQMYRNXNGGGEJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.19
Topological Polar Surface Area 44.02
Polarizability 17.67
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1259020-46-6 $373.75$373.75
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