4-Bromo-2-fluoro-5-methylbenzonitrile - CAS 916792-13-7

Catalog:	BB040314
Product Name:	4-Bromo-2-fluoro-5-methylbenzonitrile
CAS:	916792-13-7
Synonyms:	4-bromo-2-fluoro-5-methylbenzonitrile; 4-bromo-2-fluoro-5-methylbenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-fluoro-5-methylbenzonitrile
Description:	4-Bromo-2-fluoro-5-methylbenzonitrile (CAS# 916792-13-7) is a useful research chemical.
Molecular Weight:	214.03
Molecular Formula:	C8H5BrFN
Canonical SMILES:	CC1=C(C=C(C(=C1)C#N)F)Br
InChI:	InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)3-7(5)9/h2-3H,1H3
InChI Key:	AVBKISZUVMWQIA-UHFFFAOYSA-N
Boiling Point:	260.329 °C at 760 mmHg
Density:	1.596 g/cm³
MDL:	MFCD07782073
LogP:	2.76828

Publication Number	Title	Priority Date
US-2020399258-A1	Benzisoxazole Sulfonamide Derivatives	20190618
WO-2020254946-A1	Benzisoxazole sulfonamide derivatives	20190618
WO-2020182990-A1	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314
TW-202100524-A	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314
WO-2020086503-A1	Substituted indole and indazole compounds	20181024

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.95894
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8