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2-(bromomethyl)-5-chlorobenzonitrile

2-(bromomethyl)-5-chlorobenzonitrile

CAS: 50712-69-1

Formula: C8H5BrClN

SMILES: ClC1=CC(C#N)=C(CBr)C=C1

IUPAC: 2-(bromomethyl)-5-chlorobenzonitrile

InChI: InChI=1S/C8H5BrClN/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2

Composition: C (41.69%), H (2.19%), Br (34.67%), Cl (15.38%), N (6.08%)

Molar Mass: 230.49

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.92939
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CYBMZAPDOKDQJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.43
Topological Polar Surface Area 23.79
Polarizability 18.65
Ring Count 1
Rotatable Bond Count 1

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