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5-bromo-4-chloro-2-methoxybenzonitrile

5-bromo-4-chloro-2-methoxybenzonitrile

CAS: 1239838-17-5

Formula: C8H5BrClNO

SMILES: COC1=CC(Cl)=C(Br)C=C1C#N

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

InChI: InChI=1S/C8H5BrClNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3

Composition: C (38.98%), H (2.04%), Br (32.42%), Cl (14.38%), N (5.68%), O (6.49%)

Molar Mass: 246.49

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.924304
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WGNXNQOFUQIOKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.67
Topological Polar Surface Area 33.02
Polarizability 19.52
Ring Count 1
Rotatable Bond Count 1

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