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4-bromo-2,5-dichlorobenzonitrile

4-bromo-2,5-dichlorobenzonitrile

CAS: 1349717-20-9

Formula: C7H2BrCl2N

SMILES: ClC1=CC(C#N)=C(Cl)C=C1Br

IUPAC: 4-bromo-2,5-dichlorobenzonitrile

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