Methyl 4-Bromo-2,6-difluorobenzoate - CAS 773134-11-5

Catalog:	BB035884
Product Name:	Methyl 4-Bromo-2,6-difluorobenzoate
CAS:	773134-11-5
Synonyms:	4-bromo-2,6-difluorobenzoic acid methyl ester; methyl 4-bromo-2,6-difluorobenzoate

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Computed Properties

IUPAC Name:	methyl 4-bromo-2,6-difluorobenzoate
Description:	Methyl 4-Bromo-2,6-difluorobenzoate (CAS# 773134-11-5) is a useful research chemical.
Molecular Weight:	251.02
Molecular Formula:	C8H5BrF2O2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1F)Br)F
InChI:	InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI Key:	JBXJLZRTTCGLNR-UHFFFAOYSA-N
Boiling Point:	276.1 °C at 760 mmHg
Density:	1.652 g/cm³
MDL:	MFCD06204169
LogP:	2.51390

Publication Number	Title	Priority Date
CN-113480534-A	Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof	20210723
KR-20210081285-A	Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133038-A1	Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof	20191223
KR-20210039968-A	Bicyclic compound and use thereof	20191002
US-2021101892-A1	Bicyclic compound and use thereof	20191002

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94410
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.94410
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7