4-Bromo-2,6-dichlorobenzonitrile - CAS 99835-27-5

Catalog:	BB042346
Product Name:	4-Bromo-2,6-dichlorobenzonitrile
CAS:	99835-27-5
Synonyms:	4-bromo-2,6-dichlorobenzonitrile; 4-bromo-2,6-dichlorobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2,6-dichlorobenzonitrile
Description:	4-Bromo-2,6-dichlorobenzonitrile (CAS# 99835-27-5) is a useful research chemical.
Molecular Weight:	250.91
Molecular Formula:	C7H2BrCl2N
Canonical SMILES:	C1=C(C=C(C(=C1Cl)C#N)Cl)Br
InChI:	InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChI Key:	NKWBLKGGKNHCSU-UHFFFAOYSA-N
MDL:	MFCD14702850
LogP:	3.62758

Publication Number	Title	Priority Date
WO-2020086739-A1	2-(2-acryloyl-2,6-diazaspiro[3.4]octan-6-yl)-6-(1h-indazol-4-yl)-benzonitrile derivatives and related compounds as inhibitors of g12c mutant kras protein for inhibiting tumor metastasis	20181024
CN-113207291-A	2- (2-acryloyl-2, 6-diazaspiro [3.4] oct-6-yl) -6- (1H-indazol-4-yl) benzonitrile derivatives and related compounds as inhibitors of G12C mutant KRAS protein for inhibiting tumor metastasis	20181024
EP-3870585-A1	2-(2-acryloyl-2,6-diazaspiro[3.4]octan-6-yl)-6-(1h-indazol-4-yl)-benzonitrile derivatives and related compounds as inhibitors of g12c mutant kras protein for inhibiting tumor metastasis	20181024
KR-20210083286-A	2-(2-acryloyl-2,6-diazaspiro[3.4]octan-6-yl)-6-(1H-indazol-4-yl as inhibitor of G12C mutant KRAS protein to inhibit tumor metastasis )-benzonitrile derivatives and related compounds	20181024
US-2015266875-A1	Tyk2 inhibitors and uses thereof	20140228

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.87477
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.87477
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6