Methyl 3-Bromo-6-fluoro-2-methylbenzoate - CAS 1415045-22-5

Catalog:	BB009184
Product Name:	Methyl 3-Bromo-6-fluoro-2-methylbenzoate
CAS:	1415045-22-5
Synonyms:	3-bromo-6-fluoro-2-methylbenzoic acid methyl ester; methyl 3-bromo-6-fluoro-2-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-bromo-6-fluoro-2-methylbenzoate
Description:	Methyl 3-Bromo-6-fluoro-2-methylbenzoate (CAS# 1415045-22-5 ) is a useful research chemical.
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	CC1=C(C=CC(=C1C(=O)OC)F)Br
InChI:	InChI=1S/C9H8BrFO2/c1-5-6(10)3-4-7(11)8(5)9(12)13-2/h3-4H,1-2H3
InChI Key:	KTOIOMXPPXSFNN-UHFFFAOYSA-N
LogP:	2.68320

Publication Number	Title	Priority Date
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
WO-2020011246-A1	Benzene ring-containing compound, preparation method therefor and application thereof	20180713
EP-3738961-A1	Heterocyclic compound as csf-1r inhibitor and use thereof	20180103

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9