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4-bromo-2,6-dichlorobenzonitrile

4-bromo-2,6-dichlorobenzonitrile

CAS: 99835-27-5

Formula: C7H2BrCl2N

SMILES: ClC1=CC(Br)=CC(Cl)=C1C#N

IUPAC: 4-bromo-2,6-dichlorobenzonitrile

InChI: InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

Composition: C (33.51%), H (0.80%), Br (31.85%), Cl (28.26%), N (5.58%)

Molar Mass: 250.9

Atom Count: 13

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.874767
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NKWBLKGGKNHCSU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.01
Topological Polar Surface Area 23.79
Polarizability 18.96
Ring Count 1
Rotatable Bond Count 0

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