Methyl 2,6-Difluoro-4-methylbenzoate - CAS 79538-30-0

Catalog:	BB036372
Product Name:	Methyl 2,6-Difluoro-4-methylbenzoate
CAS:	79538-30-0
Synonyms:	2,6-difluoro-4-methylbenzoic acid methyl ester; methyl 2,6-difluoro-4-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2,6-difluoro-4-methylbenzoate
Description:	Methyl 2,6-Difluoro-4-methylbenzoate (CAS# 79538-30-0) is a useful research chemical.
Molecular Weight:	186.16
Molecular Formula:	C9H8F2O2
Canonical SMILES:	CC1=CC(=C(C(=C1)F)C(=O)OC)F
InChI:	InChI=1S/C9H8F2O2/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4H,1-2H3
InChI Key:	UEZGFCDNTINKED-UHFFFAOYSA-N
LogP:	2.05980

Publication Number	Title	Priority Date
TW-202030190-A	Imidazopyridine derivatives	20181030
TW-I717080-B	Imidazopyridine derivatives	20181030
WO-2018081285-A1	Urea-containing isoxazole derivatives as fxr agonists and methods of use thereof	20161026
US-2015057309-A1	Novel 3,5-disubstituted-3h-imidazo[4,5-b]pyridine and 3,5- disubstituted -3h-[1,2,3]triazolo[4,5-b] pyridine compounds as modulators of c-met protein, etc	20120330
US-2018072721-A1	Novel 3,5-disubstituted-3h-imidazo[4,5-b]pyridine and 3,5-disubstituted-3h-[1,2,3]triazolo[4,5-b] pyridine compounds as modulators of c-met protein kinases	20120330

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04923582
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.04923582
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3